AN-988/40788167
TL;DR: AN-988/40788167 (CAS 488724-95-4) is a chemical compound with molecular formula C17H21N7O2S3 and molecular weight 451.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-(butylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
Also Known As: AN-988/40788167, N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide, N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide, N-[2-[2-(butylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide, N-butyl-2-((6-(2-((1-methyl-1H-tetrazol-5-yl)thio)acetamido)benzo[d]thiazol-2-yl)thio)acetamide
| Molecular Formula | C17H21N7O2S3 |
|---|---|
| Molecular Weight | 451.09 g/mol |
| LogP | 2.559 |
| Topological Polar Surface Area | 114.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 451.0919 |
| Heavy Atoms | 29 |
| Complexity | 988.4805 |
Chemical Identifiers
| CAS Number | 488724-95-4 |
|---|---|
| SMILES | CCCCNC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=NN=NN3C |
Product Overview
AN-988/40788167 (CAS 488724-95-4), with molecular formula C17H21N7O2S3 and molecular weight 451.09 g/mol. IUPAC: N-[2-[2-(butylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
Chemical Property Profile of AN-988/40788167
Property Insights of AN-988/40788167
The XLogP value of 2.559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-988/40788167. The TPSA of 114.69 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/40788167. Following Lipinski's Rule of Five, AN-988/40788167 has 2 hydrogen bond donor(s) and 9 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 AN-988/40788167?
The CAS number of AN-988/40788167 is 488724-95-4.
What is the molecular formula of AN-988/40788167?
The molecular formula of AN-988/40788167 is C17H21N7O2S3.
What is the molecular weight of AN-988/40788167?
The molecular weight of AN-988/40788167 is 451.09 g/mol.
Where can I buy AN-988/40788167?
You can request a quote for AN-988/40788167 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40788167?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40788167 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.