BAS 08951507
TL;DR: BAS 08951507 (CAS 957014-79-8) is a chemical compound with molecular formula C20H20N4O2S and molecular weight 380.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxopyrazolidine-3-carboxamide
Also Known As: BAS 08951507, 2-benzyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxopyrazolidine-3-carboxamide, AP-845/42798274, 2-benzyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-oxo-3-pyrazolidinecarboxamide, F1637-0015
| Molecular Formula | C20H20N4O2S |
|---|---|
| Molecular Weight | 380.13 g/mol |
| LogP | 2.74278 |
| Topological Polar Surface Area | 85.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.1307 |
| Heavy Atoms | 27 |
| Complexity | 916.0532 |
Chemical Identifiers
| CAS Number | 957014-79-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC(=O)NN3CC4=CC=CC=C4)C#N |
Product Overview
BAS 08951507 (CAS 957014-79-8), with molecular formula C20H20N4O2S and molecular weight 380.13 g/mol. IUPAC: 2-benzyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxopyrazolidine-3-carboxamide.
Chemical Property Profile of BAS 08951507
Property Insights of BAS 08951507
The XLogP value of 2.74278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 08951507. The TPSA of 85.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08951507. Following Lipinski's Rule of Five, BAS 08951507 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 08951507?
The CAS number of BAS 08951507 is 957014-79-8.
What is the molecular formula of BAS 08951507?
The molecular formula of BAS 08951507 is C20H20N4O2S.
What is the molecular weight of BAS 08951507?
The molecular weight of BAS 08951507 is 380.13 g/mol.
Where can I buy BAS 08951507?
You can request a quote for BAS 08951507 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08951507?
Yes, KEHONG BIO provides custom synthesis services for BAS 08951507 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.