ChemDiv1_003769
TL;DR: ChemDiv1_003769 (CAS 317325-61-4) is a chemical compound with molecular formula C22H18N2O4S2 and molecular weight 438.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4-phenylthiophene-3-carboxylate
Also Known As: ChemDiv1_003769, ethyl 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4-phenylthiophene-3-carboxylate, ethyl 2-(2-benzoxazol-2-ylthioacetylamino)-4-phenylthiophene-3-carboxylate, ETHYL 2-[2-(1,3-BENZOXAZOL-2-YLSULFANYL)ACETAMIDO]-4-PHENYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-4-phenylthiophene-3-carboxylate
| Molecular Formula | C22H18N2O4S2 |
|---|---|
| Molecular Weight | 438.07 g/mol |
| LogP | 5.4638 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.0708 |
| Heavy Atoms | 30 |
| Complexity | 1151.3059 |
Chemical Identifiers
| CAS Number | 317325-61-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4O3 |
Product Overview
ChemDiv1_003769 (CAS 317325-61-4), with molecular formula C22H18N2O4S2 and molecular weight 438.07 g/mol. IUPAC: ethyl 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_003769
Property Insights of ChemDiv1_003769
The XLogP value of 5.4638 indicates that ChemDiv1_003769 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003769. Following Lipinski's Rule of Five, ChemDiv1_003769 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003769?
The CAS number of ChemDiv1_003769 is 317325-61-4.
What is the molecular formula of ChemDiv1_003769?
The molecular formula of ChemDiv1_003769 is C22H18N2O4S2.
What is the molecular weight of ChemDiv1_003769?
The molecular weight of ChemDiv1_003769 is 438.07 g/mol.
Where can I buy ChemDiv1_003769?
You can request a quote for ChemDiv1_003769 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003769?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003769 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.