A2031/0085278
TL;DR: A2031/0085278 (CAS 312533-91-8) is a chemical compound with molecular formula C22H22N2O4S2 and molecular weight 442.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3,4-dimethoxyphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate
Also Known As: A2031/0085278, ETHYL 2-[(ANILINOCARBOTHIOYL)AMINO]-4-(3,4-DIMETHOXYPHENYL)-3-THIOPHENECARBOXYLATE, ethyl 4-(3,4-dimethoxyphenyl)-2-(3-phenylthioureido)thiophene-3-carboxylate, ethyl 4-(3,4-dimethoxyphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate, ethyl 4-(3,4-dimethoxyphenyl)-2-[(phenylcarbamothioyl)amino]thiophene-3-carboxylate
| Molecular Formula | C22H22N2O4S2 |
|---|---|
| Molecular Weight | 442.10 g/mol |
| LogP | 5.4179 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.1021 |
| Heavy Atoms | 30 |
| Complexity | 1034.8717 |
Chemical Identifiers
| CAS Number | 312533-91-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=S)NC3=CC=CC=C3 |
Product Overview
A2031/0085278 (CAS 312533-91-8), with molecular formula C22H22N2O4S2 and molecular weight 442.10 g/mol. IUPAC: ethyl 4-(3,4-dimethoxyphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate.
Chemical Property Profile of A2031/0085278
Property Insights of A2031/0085278
The XLogP value of 5.4179 indicates that A2031/0085278 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for A2031/0085278. Following Lipinski's Rule of Five, A2031/0085278 has 2 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 A2031/0085278?
The CAS number of A2031/0085278 is 312533-91-8.
What is the molecular formula of A2031/0085278?
The molecular formula of A2031/0085278 is C22H22N2O4S2.
What is the molecular weight of A2031/0085278?
The molecular weight of A2031/0085278 is 442.10 g/mol.
Where can I buy A2031/0085278?
You can request a quote for A2031/0085278 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2031/0085278?
Yes, KEHONG BIO provides custom synthesis services for A2031/0085278 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.