BAS 00793891
TL;DR: BAS 00793891 (CAS 333355-51-4) is a chemical compound with molecular formula C25H20Cl2N2O4S and molecular weight 514.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00793891, (E)-ethyl 2-(2-cyano-3-(5-(3,4-dichlorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-({(2E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[(E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C25H20Cl2N2O4S |
|---|---|
| Molecular Weight | 514.05 g/mol |
| LogP | 6.91608 |
| Topological Polar Surface Area | 92.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.05206 |
| Heavy Atoms | 34 |
| Complexity | 1333.1212 |
Chemical Identifiers
| CAS Number | 333355-51-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)Cl)Cl)/C#N |
Product Overview
BAS 00793891 (CAS 333355-51-4), with molecular formula C25H20Cl2N2O4S and molecular weight 514.05 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00793891
Property Insights of BAS 00793891
The XLogP value of 6.91608 indicates that BAS 00793891 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.33 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00793891. Following Lipinski's Rule of Five, BAS 00793891 has 1 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 BAS 00793891?
The CAS number of BAS 00793891 is 333355-51-4.
What is the molecular formula of BAS 00793891?
The molecular formula of BAS 00793891 is C25H20Cl2N2O4S.
What is the molecular weight of BAS 00793891?
The molecular weight of BAS 00793891 is 514.05 g/mol.
Where can I buy BAS 00793891?
You can request a quote for BAS 00793891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00793891?
Yes, KEHONG BIO provides custom synthesis services for BAS 00793891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.