BAS 09976294
TL;DR: BAS 09976294 (CAS 876709-86-3) is a chemical compound with molecular formula C16H17ClN4O3S and molecular weight 380.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetyl-5'-chloro-2'-oxo-1'-propylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
Also Known As: BAS 09976294, AO-022/43455471, N-(3'-acetyl-5-chloro-2-oxo-1-propyl-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl)acetamide, N-(3'-acetyl-5-chloro-2-oxo-1-propyl-3'H-spiro[indoline-3,2'-[1,3,4]thiadiazol]-5'-yl)acetamide, N-(4-acetyl-5'-chloro-2'-oxo-1'-propylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
| Molecular Formula | C16H17ClN4O3S |
|---|---|
| Molecular Weight | 380.07 g/mol |
| LogP | 2.2518 |
| Topological Polar Surface Area | 82.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.07098 |
| Heavy Atoms | 25 |
| Complexity | 812.5696 |
Chemical Identifiers
| CAS Number | 876709-86-3 |
|---|---|
| SMILES | CCCN1C2=C(C=C(C=C2)Cl)C3(C1=O)N(N=C(S3)NC(=O)C)C(=O)C |
Product Overview
BAS 09976294 (CAS 876709-86-3), with molecular formula C16H17ClN4O3S and molecular weight 380.07 g/mol. IUPAC: N-(4-acetyl-5'-chloro-2'-oxo-1'-propylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide.
Chemical Property Profile of BAS 09976294
Property Insights of BAS 09976294
The XLogP value of 2.2518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09976294. The TPSA of 82.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09976294. Following Lipinski's Rule of Five, BAS 09976294 has 1 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 09976294?
The CAS number of BAS 09976294 is 876709-86-3.
What is the molecular formula of BAS 09976294?
The molecular formula of BAS 09976294 is C16H17ClN4O3S.
What is the molecular weight of BAS 09976294?
The molecular weight of BAS 09976294 is 380.07 g/mol.
Where can I buy BAS 09976294?
You can request a quote for BAS 09976294 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09976294?
Yes, KEHONG BIO provides custom synthesis services for BAS 09976294 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.