AE-641/14413094
TL;DR: AE-641/14413094 (CAS 307513-58-2) is a chemical compound with molecular formula C30H27N3O2S2 and molecular weight 525.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: AE-641/14413094, F0745-0890, 5-{[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-phenyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, 2-((2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl)thio)-3-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C30H27N3O2S2 |
|---|---|
| Molecular Weight | 525.15 g/mol |
| LogP | 6.70854 |
| Topological Polar Surface Area | 56.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 525.1545 |
| Heavy Atoms | 37 |
| Complexity | 1681.3909 |
Chemical Identifiers
| CAS Number | 307513-58-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3C6=CC=CC=C6 |
Product Overview
AE-641/14413094 (CAS 307513-58-2), with molecular formula C30H27N3O2S2 and molecular weight 525.15 g/mol. IUPAC: 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AE-641/14413094
Property Insights of AE-641/14413094
The XLogP value of 6.70854 indicates that AE-641/14413094 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.89 Ų, AE-641/14413094 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-641/14413094 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-641/14413094?
The CAS number of AE-641/14413094 is 307513-58-2.
What is the molecular formula of AE-641/14413094?
The molecular formula of AE-641/14413094 is C30H27N3O2S2.
What is the molecular weight of AE-641/14413094?
The molecular weight of AE-641/14413094 is 525.15 g/mol.
Where can I buy AE-641/14413094?
You can request a quote for AE-641/14413094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/14413094?
Yes, KEHONG BIO provides custom synthesis services for AE-641/14413094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.