AN-988/40788140
TL;DR: AN-988/40788140 (CAS 500274-39-5) is a chemical compound with molecular formula C22H23N7O2S3 and molecular weight 513.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
Also Known As: AN-988/40788140, N-(2-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetamide, N-(2-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide, N-(tert-butyl)-2-((6-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)benzo[d]thiazol-2-yl)thio)acetamide, N-[2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
| Molecular Formula | C22H23N7O2S3 |
|---|---|
| Molecular Weight | 513.11 g/mol |
| LogP | 4.0096 |
| Topological Polar Surface Area | 114.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.10754 |
| Heavy Atoms | 34 |
| Complexity | 1298.8268 |
Chemical Identifiers
| CAS Number | 500274-39-5 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=NN=NN3C4=CC=CC=C4 |
Product Overview
AN-988/40788140 (CAS 500274-39-5), with molecular formula C22H23N7O2S3 and molecular weight 513.11 g/mol. IUPAC: N-[2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
Chemical Property Profile of AN-988/40788140
Property Insights of AN-988/40788140
The XLogP value of 4.0096 indicates that AN-988/40788140 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.69 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/40788140. Following Lipinski's Rule of Five, AN-988/40788140 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-988/40788140?
The CAS number of AN-988/40788140 is 500274-39-5.
What is the molecular formula of AN-988/40788140?
The molecular formula of AN-988/40788140 is C22H23N7O2S3.
What is the molecular weight of AN-988/40788140?
The molecular weight of AN-988/40788140 is 513.11 g/mol.
Where can I buy AN-988/40788140?
You can request a quote for AN-988/40788140 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40788140?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40788140 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.