AN-988/40788201
TL;DR: AN-988/40788201 (CAS 433702-34-2) is a chemical compound with molecular formula C20H19N7O2S3 and molecular weight 485.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
Also Known As: AN-988/40788201, N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide, N-(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide, N-(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide, N-benzyl-2-((6-(2-((1-methyl-1H-tetrazol-5-yl)thio)acetamido)benzo[d]thiazol-2-yl)thio)acetamide
| Molecular Formula | C20H19N7O2S3 |
|---|---|
| Molecular Weight | 485.08 g/mol |
| LogP | 2.9591 |
| Topological Polar Surface Area | 114.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 485.07623 |
| Heavy Atoms | 32 |
| Complexity | 1226.4042 |
Chemical Identifiers
| CAS Number | 433702-34-2 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCC4=CC=CC=C4 |
Product Overview
AN-988/40788201 (CAS 433702-34-2), with molecular formula C20H19N7O2S3 and molecular weight 485.08 g/mol. IUPAC: N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
Chemical Property Profile of AN-988/40788201
Property Insights of AN-988/40788201
The XLogP value of 2.9591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-988/40788201. The TPSA of 114.69 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/40788201. Following Lipinski's Rule of Five, AN-988/40788201 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-988/40788201?
The CAS number of AN-988/40788201 is 433702-34-2.
What is the molecular formula of AN-988/40788201?
The molecular formula of AN-988/40788201 is C20H19N7O2S3.
What is the molecular weight of AN-988/40788201?
The molecular weight of AN-988/40788201 is 485.08 g/mol.
Where can I buy AN-988/40788201?
You can request a quote for AN-988/40788201 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40788201?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40788201 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.