BAS 00924223
TL;DR: BAS 00924223 (CAS 333762-96-2) is a chemical compound with molecular formula C14H14N6O3S and molecular weight 346.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
Also Known As: BAS 00924223, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-2-{3-nitro-1H-1,2,4-triazol-1-yl}acetamide
| Molecular Formula | C14H14N6O3S |
|---|---|
| Molecular Weight | 346.08 g/mol |
| LogP | 2.02708 |
| Topological Polar Surface Area | 126.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.0848 |
| Heavy Atoms | 24 |
| Complexity | 834.16876 |
Chemical Identifiers
| CAS Number | 333762-96-2 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CN3C=NC(=N3)[N+](=O)[O-] |
Product Overview
BAS 00924223 (CAS 333762-96-2), with molecular formula C14H14N6O3S and molecular weight 346.08 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide.
Chemical Property Profile of BAS 00924223
Property Insights of BAS 00924223
The XLogP value of 2.02708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00924223. The TPSA of 126.74 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00924223. Following Lipinski's Rule of Five, BAS 00924223 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 00924223?
The CAS number of BAS 00924223 is 333762-96-2.
What is the molecular formula of BAS 00924223?
The molecular formula of BAS 00924223 is C14H14N6O3S.
What is the molecular weight of BAS 00924223?
The molecular weight of BAS 00924223 is 346.08 g/mol.
Where can I buy BAS 00924223?
You can request a quote for BAS 00924223 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00924223?
Yes, KEHONG BIO provides custom synthesis services for BAS 00924223 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.