RefChem:1078412
TL;DR: RefChem:1078412 (CAS 129658-33-9) is a chemical compound with molecular formula C23H37NO6S and molecular weight 455.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N,N-dimethylethanamine
Also Known As: Benzeneethanamine, 2,5-dimethoxy-N,N-dimethyl-4-(heptylthio)-, (Z)-2-butenedioate (1:1), N,N-Dimethyl-2-(4-(heptylthio)-2,5-dihydroxyphenyl)ethylamine maleate, 2,5-Dimethoxy-N,N-dimethyl-4-(heptylthio)benzeneethanamine (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N,N-dimethylethanamine, RefChem:1078412
| Molecular Formula | C23H37NO6S |
|---|---|
| Molecular Weight | 455.23 g/mol |
| LogP | 4.5822 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 455.23416 |
| Heavy Atoms | 31 |
| Complexity | 674.8894 |
Chemical Identifiers
| CAS Number | 129658-33-9 |
|---|---|
| SMILES | CCCCCCCSC1=C(C=C(C(=C1)OC)CCN(C)C)OC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1078412 (CAS 129658-33-9), with molecular formula C23H37NO6S and molecular weight 455.23 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N,N-dimethylethanamine.
Chemical Property Profile of RefChem:1078412
Property Insights of RefChem:1078412
The XLogP value of 4.5822 indicates that RefChem:1078412 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1078412. Following Lipinski's Rule of Five, RefChem:1078412 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1078412?
The CAS number of RefChem:1078412 is 129658-33-9.
What is the molecular formula of RefChem:1078412?
The molecular formula of RefChem:1078412 is C23H37NO6S.
What is the molecular weight of RefChem:1078412?
The molecular weight of RefChem:1078412 is 455.23 g/mol.
Where can I buy RefChem:1078412?
You can request a quote for RefChem:1078412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078412?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.