ChemDiv3_015965
TL;DR: ChemDiv3_015965 (CAS 902881-13-4) is a chemical compound with molecular formula C21H25N5O2S and molecular weight 411.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethylphenyl)-2-[3-(3-methylbutyl)-4-oxopteridin-2-yl]sulfanylacetamide
Also Known As: ChemDiv3_015965, N-(4-ethylphenyl)-2-{[3-(3-methylbutyl)-4-oxo-3,4-dihydropteridin-2-yl]sulfanyl}acetamide, N-(4-ethylphenyl)-2-[3-(3-methylbutyl)-4-oxopteridin-2-yl]sulfanylacetamide, N-(4-ethylphenyl)-2-{[3-(3-methylbutyl)-4-oxo-3,4-dihydropteridin-2-yl]thio}acetamide
| Molecular Formula | C21H25N5O2S |
|---|---|
| Molecular Weight | 411.17 g/mol |
| LogP | 3.5258 |
| Topological Polar Surface Area | 89.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.17288 |
| Heavy Atoms | 29 |
| Complexity | 1047.116 |
Chemical Identifiers
| CAS Number | 902881-13-4 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCC(C)C |
Product Overview
ChemDiv3_015965 (CAS 902881-13-4), with molecular formula C21H25N5O2S and molecular weight 411.17 g/mol. IUPAC: N-(4-ethylphenyl)-2-[3-(3-methylbutyl)-4-oxopteridin-2-yl]sulfanylacetamide.
Chemical Property Profile of ChemDiv3_015965
Property Insights of ChemDiv3_015965
The XLogP value of 3.5258 indicates that ChemDiv3_015965 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.77 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_015965. Following Lipinski's Rule of Five, ChemDiv3_015965 has 1 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 ChemDiv3_015965?
The CAS number of ChemDiv3_015965 is 902881-13-4.
What is the molecular formula of ChemDiv3_015965?
The molecular formula of ChemDiv3_015965 is C21H25N5O2S.
What is the molecular weight of ChemDiv3_015965?
The molecular weight of ChemDiv3_015965 is 411.17 g/mol.
Where can I buy ChemDiv3_015965?
You can request a quote for ChemDiv3_015965 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_015965?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_015965 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.