AN-988/40788138
TL;DR: AN-988/40788138 (CAS 498570-41-5) is a chemical compound with molecular formula C23H25N7O2S3 and molecular weight 527.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]acetamide
Also Known As: AN-988/40788138, BRD-K01039130-001-07-0, 2-[(1-benzyl-1H-tetrazol-5-yl)sulfanyl]-N-(2-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide, 2-((1-benzyl-1H-tetrazol-5-yl)thio)-N-(2-((2-(tert-butylamino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)acetamide, 2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-N-[2-(tert-butylcarbamoyl-methylsulfanyl)-benzothiazol-6-yl]-acetam ide
| Molecular Formula | C23H25N7O2S3 |
|---|---|
| Molecular Weight | 527.12 g/mol |
| LogP | 4.0687 |
| Topological Polar Surface Area | 114.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 527.12317 |
| Heavy Atoms | 35 |
| Complexity | 1315.6561 |
Chemical Identifiers
| CAS Number | 498570-41-5 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=NN=NN3CC4=CC=CC=C4 |
Product Overview
AN-988/40788138 (CAS 498570-41-5), with molecular formula C23H25N7O2S3 and molecular weight 527.12 g/mol. IUPAC: 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]acetamide.
Chemical Property Profile of AN-988/40788138
Property Insights of AN-988/40788138
The XLogP value of 4.0687 indicates that AN-988/40788138 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-988/40788138. Following Lipinski's Rule of Five, AN-988/40788138 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-988/40788138?
The CAS number of AN-988/40788138 is 498570-41-5.
What is the molecular formula of AN-988/40788138?
The molecular formula of AN-988/40788138 is C23H25N7O2S3.
What is the molecular weight of AN-988/40788138?
The molecular weight of AN-988/40788138 is 527.12 g/mol.
Where can I buy AN-988/40788138?
You can request a quote for AN-988/40788138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40788138?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40788138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.