RefChem:1078370
TL;DR: RefChem:1078370 (CAS 153804-72-9) is a chemical compound with molecular formula C27H35NO6S and molecular weight 501.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-methoxypropyl]-4-phenylbutan-1-amine
Also Known As: 8-((2-Methoxy-3-((4-phenylbutyl)amino)propyl)oxy)thiochroman fumarate, Benzenebutanamine, N-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-methoxypropyl]-4-phenylbutan-1-amine, RefChem:1078370
| Molecular Formula | C27H35NO6S |
|---|---|
| Molecular Weight | 501.22 g/mol |
| LogP | 4.443 |
| Topological Polar Surface Area | 105.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 501.2185 |
| Heavy Atoms | 35 |
| Complexity | 918.5237 |
Chemical Identifiers
| CAS Number | 153804-72-9 |
|---|---|
| SMILES | COC(CNCCCCC1=CC=CC=C1)COC2=CC=CC3=C2SCCC3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1078370 (CAS 153804-72-9), with molecular formula C27H35NO6S and molecular weight 501.22 g/mol. IUPAC: (E)-but-2-enedioic acid;N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-methoxypropyl]-4-phenylbutan-1-amine.
Chemical Property Profile of RefChem:1078370
Property Insights of RefChem:1078370
The XLogP value of 4.443 indicates that RefChem:1078370 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.09 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1078370. Following Lipinski's Rule of Five, RefChem:1078370 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1078370?
The CAS number of RefChem:1078370 is 153804-72-9.
What is the molecular formula of RefChem:1078370?
The molecular formula of RefChem:1078370 is C27H35NO6S.
What is the molecular weight of RefChem:1078370?
The molecular weight of RefChem:1078370 is 501.22 g/mol.
Where can I buy RefChem:1078370?
You can request a quote for RefChem:1078370 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078370?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078370 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.