BAS 09976289
TL;DR: BAS 09976289 (CAS 876722-02-0) is a chemical compound with molecular formula C21H27N5O3S and molecular weight 429.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-acetyl-5'-methyl-2'-oxo-1'-(2-piperidin-1-ylethyl)spiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide
Also Known As: BAS 09976289, N-{3'-acetyl-5-methyl-2-oxo-1-[2-(piperidin-1-yl)ethyl]-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl}acetamide, N-(3'-acetyl-5-methyl-2-oxo-1-(2-(piperidin-1-yl)ethyl)-3'H-spiro[indoline-3,2'-[1,3,4]thiadiazol]-5'-yl)acetamide, N-[4-acetyl-5'-methyl-2'-oxo-1'-(2-piperidin-1-ylethyl)spiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide
| Molecular Formula | C21H27N5O3S |
|---|---|
| Molecular Weight | 429.18 g/mol |
| LogP | 1.98272 |
| Topological Polar Surface Area | 85.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 429.18347 |
| Heavy Atoms | 30 |
| Complexity | 927.217 |
Chemical Identifiers
| CAS Number | 876722-02-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(=O)C23N(N=C(S3)NC(=O)C)C(=O)C)CCN4CCCCC4 |
Product Overview
BAS 09976289 (CAS 876722-02-0), with molecular formula C21H27N5O3S and molecular weight 429.18 g/mol. IUPAC: N-[4-acetyl-5'-methyl-2'-oxo-1'-(2-piperidin-1-ylethyl)spiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide.
Chemical Property Profile of BAS 09976289
Property Insights of BAS 09976289
The XLogP value of 1.98272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09976289. The TPSA of 85.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09976289. Following Lipinski's Rule of Five, BAS 09976289 has 1 hydrogen bond donor(s) and 6 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 09976289?
The CAS number of BAS 09976289 is 876722-02-0.
What is the molecular formula of BAS 09976289?
The molecular formula of BAS 09976289 is C21H27N5O3S.
What is the molecular weight of BAS 09976289?
The molecular weight of BAS 09976289 is 429.18 g/mol.
Where can I buy BAS 09976289?
You can request a quote for BAS 09976289 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09976289?
Yes, KEHONG BIO provides custom synthesis services for BAS 09976289 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.