AN-988/40764222
TL;DR: AN-988/40764222 (CAS 443296-61-5) is a chemical compound with molecular formula C27H27N3O4S2 and molecular weight 521.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methylbenzamide
Also Known As: AN-988/40764222, N-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide, N-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methylbenzamide, N-(2-((2-((3,4-dimethoxyphenethyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)-2-methylbenzamide
| Molecular Formula | C27H27N3O4S2 |
|---|---|
| Molecular Weight | 521.14 g/mol |
| LogP | 5.32522 |
| Topological Polar Surface Area | 89.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 521.1443 |
| Heavy Atoms | 36 |
| Complexity | 1386.714 |
Chemical Identifiers
| CAS Number | 443296-61-5 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCCC4=CC(=C(C=C4)OC)OC |
Product Overview
AN-988/40764222 (CAS 443296-61-5), with molecular formula C27H27N3O4S2 and molecular weight 521.14 g/mol. IUPAC: N-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methylbenzamide.
Chemical Property Profile of AN-988/40764222
Property Insights of AN-988/40764222
The XLogP value of 5.32522 indicates that AN-988/40764222 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/40764222. Following Lipinski's Rule of Five, AN-988/40764222 has 2 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-988/40764222?
The CAS number of AN-988/40764222 is 443296-61-5.
What is the molecular formula of AN-988/40764222?
The molecular formula of AN-988/40764222 is C27H27N3O4S2.
What is the molecular weight of AN-988/40764222?
The molecular weight of AN-988/40764222 is 521.14 g/mol.
Where can I buy AN-988/40764222?
You can request a quote for AN-988/40764222 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40764222?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40764222 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.