AN-988/15132125
TL;DR: AN-988/15132125 (CAS 425657-52-9) is a chemical compound with molecular formula C21H21N3O2S2 and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide
Also Known As: AN-988/15132125, AB00105356-01, 4-methyl-N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide, 4-methyl-N-(2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
| Molecular Formula | C21H21N3O2S2 |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 4.57152 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1075 |
| Heavy Atoms | 28 |
| Complexity | 1008.16754 |
Chemical Identifiers
| CAS Number | 425657-52-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCCC4 |
Product Overview
AN-988/15132125 (CAS 425657-52-9), with molecular formula C21H21N3O2S2 and molecular weight 411.11 g/mol. IUPAC: 4-methyl-N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide.
Chemical Property Profile of AN-988/15132125
Property Insights of AN-988/15132125
The XLogP value of 4.57152 indicates that AN-988/15132125 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/15132125. Following Lipinski's Rule of Five, AN-988/15132125 has 1 hydrogen bond donor(s) and 5 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-988/15132125?
The CAS number of AN-988/15132125 is 425657-52-9.
What is the molecular formula of AN-988/15132125?
The molecular formula of AN-988/15132125 is C21H21N3O2S2.
What is the molecular weight of AN-988/15132125?
The molecular weight of AN-988/15132125 is 411.11 g/mol.
Where can I buy AN-988/15132125?
You can request a quote for AN-988/15132125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/15132125?
Yes, KEHONG BIO provides custom synthesis services for AN-988/15132125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.