![4,4-bis[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]but-3-en-1-yl 9-hydroxy-12-(octadecanoyloxy)-4,15-dioxo-8,10,14-trioxa-5-aza-9-phosphadotriacontan-1-oate 9-oxide structure](/static/products/4998/499-82-1.webp)
4,4-bis[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]but-3-en-1-yl 9-hydroxy-12-(octadecanoyloxy)-4,15-dioxo-8,10,14-trioxa-5-aza-9-phosphadotriacontan-1-oate 9-oxide
TL;DR: 4,4-bis[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]but-3-en-1-yl 9-hydroxy-12-(octadecanoyloxy)-4,15-dioxo-8,10,14-trioxa-5-aza-9-phosphadotriacontan-1-oate 9-oxide (CAS 499-82-1) is a chemical compound with molecular formula C67H106Cl2NO17P and molecular weight 1297.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloro-5-[1-(3-chloro-4-methoxy-5-methoxycarbonylphenyl)-4-[4-[2-[2,3-di(octadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]-4-oxobutanoyl]oxybut-1-enyl]-2-methoxybenzoate
Also Known As: 4,4-bis[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]but-3-en-1-yl 9-hydroxy-12-(octadecanoyloxy)-4,15-dioxo-8,10,14-trioxa-5-aza-9-phosphadotriacontan-1-oate 9-oxide, 4,4-Bis(3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl)-3-butenyl 5-hydroxy-10-oxo-1,2-bis(stearoyloxy)-4,6-dioxa-9-aza-5-phosphatridecan-13-oate 5-oxide, 4,4-Bis[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]but-3-en-1-yl 9-hydroxy-12-(octadecanoyloxy)-4,9,15-trioxo-8,10,14-trioxa-5-aza-9lambda~5~-phosphadotriacontan-1-oate, methyl 3-chloro-5-[1-(3-chloro-4-methoxy-5-methoxycarbonyl-phenyl)-4-[4-[2-[2,3-di(octadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethylamino]-4-oxo-butanoyl]oxy-but-1-enyl]-2-methoxy-benzoate, methyl 3-chloro-5-[1-(3-chloro-4-methoxy-5-methoxycarbonylphenyl)-4-[4-[2-[2,3-di(octadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]-4-oxobutanoyl]oxybut-1-enyl]-2-methoxybenzoate
| Molecular Formula | C67H106Cl2NO17P |
|---|---|
| Molecular Weight | 1297.66 g/mol |
| LogP | 20.1 |
| Topological Polar Surface Area | 235.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 59 |
| Exact Mass | 1297.6576 |
| Heavy Atoms | 88 |
| Complexity | 1920.0 |
Chemical Identifiers
| CAS Number | 499-82-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCC(=O)OCCC=C(C1=CC(=C(C(=C1)Cl)OC)C(=O)OC)C2=CC(=C(C(=C2)Cl)OC)C(=O)OC)OC(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | PWSPMLBCMMBPEC-UHFFFAOYSA-N |
Product Overview
4,4-bis[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]but-3-en-1-yl 9-hydroxy-12-(octadecanoyloxy)-4,15-dioxo-8,10,14-trioxa-5-aza-9-phosphadotriacontan-1-oate 9-oxide (CAS 499-82-1), with molecular formula C67H106Cl2NO17P and molecular weight 1297.66 g/mol. IUPAC: methyl 3-chloro-5-[1-(3-chloro-4-methoxy-5-methoxycarbonylphenyl)-4-[4-[2-[2,3-di(octadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]-4-oxobutanoyl]oxybut-1-enyl]-2-methoxybenzoate.
Chemical Property Profile of 4,4-bis[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]but-3-en-1-yl 9-hydroxy-12-(octadecanoyloxy)-4,15-dioxo-8,10,14-trioxa-5-aza-9-phosphadotriacontan-1-oate 9-oxide
Property Insights of 4,4-bis[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]but-3-en-1-yl 9-hydroxy-12-(octadecanoyloxy)-4,15-dioxo-8,10,14-trioxa-5-aza-9-phosphadotriacontan-1-oate 9-oxide
The XLogP value of 20.1 indicates that 4,4-bis[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]but-3-en-1-yl 9-hydroxy-12-(octadecanoyloxy)-4,15-dioxo-8,10,14-trioxa-5-aza-9-phosphadotriacontan-1-oate 9-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 235.0 Ų indicates high polarity, suggesting 4,4-bis[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]but-3-en-1-yl 9-hydroxy-12-(octadecanoyloxy)-4,15-dioxo-8,10,14-trioxa-5-aza-9-phosphadotriacontan-1-oate 9-oxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4-bis[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]but-3-en-1-yl 9-hydroxy-12-(octadecanoyloxy)-4,15-dioxo-8,10,14-trioxa-5-aza-9-phosphadotriacontan-1-oate 9-oxide has 2 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4-bis[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]but-3-en-1-yl 9-hydroxy-12-(octadecanoyloxy)-4,15-dioxo-8,10,14-trioxa-5-aza-9-phosphadotriacontan-1-oate 9-oxide?
The CAS number of 4,4-bis[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]but-3-en-1-yl 9-hydroxy-12-(octadecanoyloxy)-4,15-dioxo-8,10,14-trioxa-5-aza-9-phosphadotriacontan-1-oate 9-oxide is 499-82-1.
What is the molecular formula of 4,4-bis[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]but-3-en-1-yl 9-hydroxy-12-(octadecanoyloxy)-4,15-dioxo-8,10,14-trioxa-5-aza-9-phosphadotriacontan-1-oate 9-oxide?
The molecular formula of 4,4-bis[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]but-3-en-1-yl 9-hydroxy-12-(octadecanoyloxy)-4,15-dioxo-8,10,14-trioxa-5-aza-9-phosphadotriacontan-1-oate 9-oxide is C67H106Cl2NO17P.
What is the molecular weight of 4,4-bis[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]but-3-en-1-yl 9-hydroxy-12-(octadecanoyloxy)-4,15-dioxo-8,10,14-trioxa-5-aza-9-phosphadotriacontan-1-oate 9-oxide?
The molecular weight of 4,4-bis[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]but-3-en-1-yl 9-hydroxy-12-(octadecanoyloxy)-4,15-dioxo-8,10,14-trioxa-5-aza-9-phosphadotriacontan-1-oate 9-oxide is 1297.66 g/mol.
Where can I buy 4,4-bis[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]but-3-en-1-yl 9-hydroxy-12-(octadecanoyloxy)-4,15-dioxo-8,10,14-trioxa-5-aza-9-phosphadotriacontan-1-oate 9-oxide?
You can request a quote for 4,4-bis[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]but-3-en-1-yl 9-hydroxy-12-(octadecanoyloxy)-4,15-dioxo-8,10,14-trioxa-5-aza-9-phosphadotriacontan-1-oate 9-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-bis[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]but-3-en-1-yl 9-hydroxy-12-(octadecanoyloxy)-4,15-dioxo-8,10,14-trioxa-5-aza-9-phosphadotriacontan-1-oate 9-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4,4-bis[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]but-3-en-1-yl 9-hydroxy-12-(octadecanoyloxy)-4,15-dioxo-8,10,14-trioxa-5-aza-9-phosphadotriacontan-1-oate 9-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.