AN-038/12207014
TL;DR: AN-038/12207014 (CAS 327168-93-4) is a chemical compound with molecular formula C20H23N3OS2 and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-11-methyl-5-propylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: AN-038/12207014, 3-benzyl-7-methyl-2-(propylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-benzyl-7-methyl-2-(propylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C20H23N3OS2 |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 3.9963 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.12827 |
| Heavy Atoms | 26 |
| Complexity | 978.12524 |
Chemical Identifiers
| CAS Number | 327168-93-4 |
|---|---|
| SMILES | CCCSC1=NC2=C(C3=C(S2)CN(CC3)C)C(=O)N1CC4=CC=CC=C4 |
Product Overview
AN-038/12207014 (CAS 327168-93-4), with molecular formula C20H23N3OS2 and molecular weight 385.13 g/mol. IUPAC: 4-benzyl-11-methyl-5-propylsulfanyl-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-038/12207014
Property Insights of AN-038/12207014
The XLogP value of 3.9963 indicates that AN-038/12207014 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, AN-038/12207014 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-038/12207014 has 0 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 AN-038/12207014?
The CAS number of AN-038/12207014 is 327168-93-4.
What is the molecular formula of AN-038/12207014?
The molecular formula of AN-038/12207014 is C20H23N3OS2.
What is the molecular weight of AN-038/12207014?
The molecular weight of AN-038/12207014 is 385.13 g/mol.
Where can I buy AN-038/12207014?
You can request a quote for AN-038/12207014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-038/12207014?
Yes, KEHONG BIO provides custom synthesis services for AN-038/12207014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.