AN-038/12207011
TL;DR: AN-038/12207011 (CAS 368889-08-1) is a chemical compound with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-11-methyl-5-phenacylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: AN-038/12207011, 3-ethyl-7-methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-ethyl-7-methyl-2-((2-oxo-2-phenylethyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-Ethyl-7-methyl-2-(2-oxo-2-phenyl-ethylsulfanyl)-5,6,7,8-tetrahydro-3H-pyrido[4',3':4,5]thieno[2,3-d]pyri midin-4-one
| Molecular Formula | C20H21N3O2S2 |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 3.4408 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.1075 |
| Heavy Atoms | 27 |
| Complexity | 1056.5143 |
Chemical Identifiers
| CAS Number | 368889-08-1 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=CC=C3)SC4=C2CCN(C4)C |
Product Overview
AN-038/12207011 (CAS 368889-08-1), with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol. IUPAC: 4-ethyl-11-methyl-5-phenacylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of AN-038/12207011
Property Insights of AN-038/12207011
The XLogP value of 3.4408 indicates that AN-038/12207011 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, AN-038/12207011 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-038/12207011 has 0 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 AN-038/12207011?
The CAS number of AN-038/12207011 is 368889-08-1.
What is the molecular formula of AN-038/12207011?
The molecular formula of AN-038/12207011 is C20H21N3O2S2.
What is the molecular weight of AN-038/12207011?
The molecular weight of AN-038/12207011 is 399.11 g/mol.
Where can I buy AN-038/12207011?
You can request a quote for AN-038/12207011 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-038/12207011?
Yes, KEHONG BIO provides custom synthesis services for AN-038/12207011 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.