AE-641/14413058
TL;DR: AE-641/14413058 (CAS 307513-45-7) is a chemical compound with molecular formula C24H29N3O2S2 and molecular weight 455.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantyl)-2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
Also Known As: AE-641/14413058, N-(adamantan-1-yl)-2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}acetamide, F0745-0790, N-((3s,5s,7s)-adamantan-1-yl)-2-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-(1-Adamantyl)-2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
| Molecular Formula | C24H29N3O2S2 |
|---|---|
| Molecular Weight | 455.17 g/mol |
| LogP | 4.3098 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.1701 |
| Heavy Atoms | 31 |
| Complexity | 1096.7391 |
Chemical Identifiers
| CAS Number | 307513-45-7 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4)SC6=C2CCC6 |
Product Overview
AE-641/14413058 (CAS 307513-45-7), with molecular formula C24H29N3O2S2 and molecular weight 455.17 g/mol. IUPAC: N-(1-adamantyl)-2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide.
Chemical Property Profile of AE-641/14413058
Property Insights of AE-641/14413058
The XLogP value of 4.3098 indicates that AE-641/14413058 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/14413058. Following Lipinski's Rule of Five, AE-641/14413058 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 AE-641/14413058?
The CAS number of AE-641/14413058 is 307513-45-7.
What is the molecular formula of AE-641/14413058?
The molecular formula of AE-641/14413058 is C24H29N3O2S2.
What is the molecular weight of AE-641/14413058?
The molecular weight of AE-641/14413058 is 455.17 g/mol.
Where can I buy AE-641/14413058?
You can request a quote for AE-641/14413058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/14413058?
Yes, KEHONG BIO provides custom synthesis services for AE-641/14413058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.