BAS 00634266
TL;DR: BAS 00634266 (CAS 301338-06-7) is a chemical compound with molecular formula C25H21N3O6S and molecular weight 491.12 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-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00634266, (E)-ethyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{(2E)-2-cyano-3-[5-(3-nitrophenyl)(2-furyl)]prop-2-enoylamino}-4,5,6,7 -tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C25H21N3O6S |
|---|---|
| Molecular Weight | 491.12 g/mol |
| LogP | 5.51748 |
| Topological Polar Surface Area | 135.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.1151 |
| Heavy Atoms | 35 |
| Complexity | 1377.9795 |
Chemical Identifiers
| CAS Number | 301338-06-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])/C#N |
Product Overview
BAS 00634266 (CAS 301338-06-7), with molecular formula C25H21N3O6S and molecular weight 491.12 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00634266
Property Insights of BAS 00634266
The XLogP value of 5.51748 indicates that BAS 00634266 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00634266. Following Lipinski's Rule of Five, BAS 00634266 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00634266?
The CAS number of BAS 00634266 is 301338-06-7.
What is the molecular formula of BAS 00634266?
The molecular formula of BAS 00634266 is C25H21N3O6S.
What is the molecular weight of BAS 00634266?
The molecular weight of BAS 00634266 is 491.12 g/mol.
Where can I buy BAS 00634266?
You can request a quote for BAS 00634266 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00634266?
Yes, KEHONG BIO provides custom synthesis services for BAS 00634266 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.