AN-038/12207023
TL;DR: AN-038/12207023 (CAS 353483-67-7) is a chemical compound with molecular formula C26H25N3O3S2 and molecular weight 491.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4,11-dibenzyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate
Also Known As: AN-038/12207023, methyl [(3,7-dibenzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate, methyl 2-((3,7-dibenzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
| Molecular Formula | C26H25N3O3S2 |
|---|---|
| Molecular Weight | 491.13 g/mol |
| LogP | 4.3297 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.13373 |
| Heavy Atoms | 34 |
| Complexity | 1367.0724 |
Chemical Identifiers
| CAS Number | 353483-67-7 |
|---|---|
| SMILES | COC(=O)CSC1=NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C(=O)N1CC5=CC=CC=C5 |
Product Overview
AN-038/12207023 (CAS 353483-67-7), with molecular formula C26H25N3O3S2 and molecular weight 491.13 g/mol. IUPAC: methyl 2-[(4,11-dibenzyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate.
Chemical Property Profile of AN-038/12207023
Property Insights of AN-038/12207023
The XLogP value of 4.3297 indicates that AN-038/12207023 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-038/12207023. Following Lipinski's Rule of Five, AN-038/12207023 has 0 hydrogen bond donor(s) and 7 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-038/12207023?
The CAS number of AN-038/12207023 is 353483-67-7.
What is the molecular formula of AN-038/12207023?
The molecular formula of AN-038/12207023 is C26H25N3O3S2.
What is the molecular weight of AN-038/12207023?
The molecular weight of AN-038/12207023 is 491.13 g/mol.
Where can I buy AN-038/12207023?
You can request a quote for AN-038/12207023 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-038/12207023?
Yes, KEHONG BIO provides custom synthesis services for AN-038/12207023 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.