AE-641/12113048
TL;DR: AE-641/12113048 (CAS 301683-77-2) is a chemical compound with molecular formula C20H19N3O2S2 and molecular weight 397.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-acetylphenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
Also Known As: AE-641/12113048, N-(3-acetylphenyl)-2-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraen-3-ylsulfanyl}acetamide, N-(3-acetylphenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide, N-(3-acetylphenyl)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide, N-(3-acetylphenyl)-2-(5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-yl thio)acetamide
| Molecular Formula | C20H19N3O2S2 |
|---|---|
| Molecular Weight | 397.09 g/mol |
| LogP | 4.5035 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.09186 |
| Heavy Atoms | 27 |
| Complexity | 1029.2388 |
Chemical Identifiers
| CAS Number | 301683-77-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4 |
Product Overview
AE-641/12113048 (CAS 301683-77-2), with molecular formula C20H19N3O2S2 and molecular weight 397.09 g/mol. IUPAC: N-(3-acetylphenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide.
Chemical Property Profile of AE-641/12113048
Property Insights of AE-641/12113048
The XLogP value of 4.5035 indicates that AE-641/12113048 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.95 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/12113048. Following Lipinski's Rule of Five, AE-641/12113048 has 1 hydrogen bond donor(s) and 6 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 AE-641/12113048?
The CAS number of AE-641/12113048 is 301683-77-2.
What is the molecular formula of AE-641/12113048?
The molecular formula of AE-641/12113048 is C20H19N3O2S2.
What is the molecular weight of AE-641/12113048?
The molecular weight of AE-641/12113048 is 397.09 g/mol.
Where can I buy AE-641/12113048?
You can request a quote for AE-641/12113048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/12113048?
Yes, KEHONG BIO provides custom synthesis services for AE-641/12113048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.