AN-988/40788221
TL;DR: AN-988/40788221 (CAS 488732-06-5) is a chemical compound with molecular formula C25H21N5O2S3 and molecular weight 519.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]acetamide
Also Known As: AN-988/40788221, 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide, 2-((1H-benzo[d]imidazol-2-yl)thio)-N-(2-((2-(benzylamino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)acetamide, 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]acetamide, 2-(1H-benzoimidazol-2-ylsulfanyl)-N-[2-(benzylcarbamoylmethylsulfanyl)benzothiazol-6-yl]acetamide
| Molecular Formula | C25H21N5O2S3 |
|---|---|
| Molecular Weight | 519.09 g/mol |
| LogP | 5.3119 |
| Topological Polar Surface Area | 99.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 519.08575 |
| Heavy Atoms | 35 |
| Complexity | 1449.5863 |
Chemical Identifiers
| CAS Number | 488732-06-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=NC5=CC=CC=C5N4 |
Product Overview
AN-988/40788221 (CAS 488732-06-5), with molecular formula C25H21N5O2S3 and molecular weight 519.09 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]acetamide.
Chemical Property Profile of AN-988/40788221
Property Insights of AN-988/40788221
The XLogP value of 5.3119 indicates that AN-988/40788221 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.77 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/40788221. Following Lipinski's Rule of Five, AN-988/40788221 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-988/40788221?
The CAS number of AN-988/40788221 is 488732-06-5.
What is the molecular formula of AN-988/40788221?
The molecular formula of AN-988/40788221 is C25H21N5O2S3.
What is the molecular weight of AN-988/40788221?
The molecular weight of AN-988/40788221 is 519.09 g/mol.
Where can I buy AN-988/40788221?
You can request a quote for AN-988/40788221 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40788221?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40788221 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.