BAS 01321106
TL;DR: BAS 01321106 (CAS 305375-06-8) is a chemical compound with molecular formula C21H19N3O5S and molecular weight 425.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 01321106, (E)-ethyl 2-(2-cyano-3-(3-nitrophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, F0709-0009, ETHYL 2-[(2E)-2-CYANO-3-(3-NITROPHENYL)PROP-2-ENAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H19N3O5S |
|---|---|
| Molecular Weight | 425.10 g/mol |
| LogP | 4.25748 |
| Topological Polar Surface Area | 122.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.10455 |
| Heavy Atoms | 30 |
| Complexity | 1080.7964 |
Chemical Identifiers
| CAS Number | 305375-06-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C#N |
Product Overview
BAS 01321106 (CAS 305375-06-8), with molecular formula C21H19N3O5S and molecular weight 425.10 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 01321106
Property Insights of BAS 01321106
The XLogP value of 4.25748 indicates that BAS 01321106 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.33 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01321106. Following Lipinski's Rule of Five, BAS 01321106 has 1 hydrogen bond donor(s) and 7 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 BAS 01321106?
The CAS number of BAS 01321106 is 305375-06-8.
What is the molecular formula of BAS 01321106?
The molecular formula of BAS 01321106 is C21H19N3O5S.
What is the molecular weight of BAS 01321106?
The molecular weight of BAS 01321106 is 425.10 g/mol.
Where can I buy BAS 01321106?
You can request a quote for BAS 01321106 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01321106?
Yes, KEHONG BIO provides custom synthesis services for BAS 01321106 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.