BAS 12767086
TL;DR: BAS 12767086 (CAS 956203-00-2) is a chemical compound with molecular formula C14H16N4O2S and molecular weight 304.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-5-oxopyrazolidine-3-carboxamide
Also Known As: BAS 12767086, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-5-oxopyrazolidine-3-carboxamide, F3023-0011, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-methyl-5-oxopyrazolidine-3-carboxamide, N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))(2-methyl-5-oxopyrazolidin -3-yl)carboxamide
| Molecular Formula | C14H16N4O2S |
|---|---|
| Molecular Weight | 304.10 g/mol |
| LogP | 1.17238 |
| Topological Polar Surface Area | 85.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.0994 |
| Heavy Atoms | 21 |
| Complexity | 646.1346 |
Chemical Identifiers
| CAS Number | 956203-00-2 |
|---|---|
| SMILES | CN1C(CC(=O)N1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N |
Product Overview
BAS 12767086 (CAS 956203-00-2), with molecular formula C14H16N4O2S and molecular weight 304.10 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-5-oxopyrazolidine-3-carboxamide.
Chemical Property Profile of BAS 12767086
Property Insights of BAS 12767086
The XLogP value of 1.17238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12767086. The TPSA of 85.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12767086. Following Lipinski's Rule of Five, BAS 12767086 has 2 hydrogen bond donor(s) and 5 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 12767086?
The CAS number of BAS 12767086 is 956203-00-2.
What is the molecular formula of BAS 12767086?
The molecular formula of BAS 12767086 is C14H16N4O2S.
What is the molecular weight of BAS 12767086?
The molecular weight of BAS 12767086 is 304.10 g/mol.
Where can I buy BAS 12767086?
You can request a quote for BAS 12767086 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12767086?
Yes, KEHONG BIO provides custom synthesis services for BAS 12767086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.