RefChem:1078380
TL;DR: RefChem:1078380 (CAS 37014-89-4) is a chemical compound with molecular formula C24H29NO6S and molecular weight 459.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-(dimethylamino)ethyl 4-phenyl-4-phenylsulfanylbutanoate
Also Known As: 2-Dimethylaminoethyl 4-phenyl-4-(phenylthio)butyrate hydrogen maleate, Benzenebutanoic acid, gamma-(phenylthio)-, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 2-dimethylaminoethyl 4-phenyl-4-phenylsulfanylbutanoate, RefChem:1078380
| Molecular Formula | C24H29NO6S |
|---|---|
| Molecular Weight | 459.17 g/mol |
| LogP | 4.1168 |
| Topological Polar Surface Area | 104.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 459.17157 |
| Heavy Atoms | 32 |
| Complexity | 839.30786 |
Chemical Identifiers
| CAS Number | 37014-89-4 |
|---|---|
| SMILES | CN(C)CCOC(=O)CCC(C1=CC=CC=C1)SC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1078380 (CAS 37014-89-4), with molecular formula C24H29NO6S and molecular weight 459.17 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(dimethylamino)ethyl 4-phenyl-4-phenylsulfanylbutanoate.
Chemical Property Profile of RefChem:1078380
Property Insights of RefChem:1078380
The XLogP value of 4.1168 indicates that RefChem:1078380 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.14 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1078380. Following Lipinski's Rule of Five, RefChem:1078380 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:1078380?
The CAS number of RefChem:1078380 is 37014-89-4.
What is the molecular formula of RefChem:1078380?
The molecular formula of RefChem:1078380 is C24H29NO6S.
What is the molecular weight of RefChem:1078380?
The molecular weight of RefChem:1078380 is 459.17 g/mol.
Where can I buy RefChem:1078380?
You can request a quote for RefChem:1078380 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078380?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078380 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.