RefChem:448740
TL;DR: RefChem:448740 (CAS 587002-96-8) is a chemical compound with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dimethoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(3,5-dimethoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethoxyphenyl)acetamide, 2-{[4-allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide, 2-((4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(3,5-DIMETHOXYPHENYL)ACETAMIDE, 637-402-6
| Molecular Formula | C20H21N5O3S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 3.2741 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.1365 |
| Heavy Atoms | 29 |
| Complexity | 968.7867 |
Chemical Identifiers
| CAS Number | 587002-96-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=N3)OC |
Product Overview
RefChem:448740 (CAS 587002-96-8), with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol. IUPAC: N-(3,5-dimethoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:448740
Property Insights of RefChem:448740
The XLogP value of 3.2741 indicates that RefChem:448740 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:448740. Following Lipinski's Rule of Five, RefChem:448740 has 1 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 RefChem:448740?
The CAS number of RefChem:448740 is 587002-96-8.
What is the molecular formula of RefChem:448740?
The molecular formula of RefChem:448740 is C20H21N5O3S.
What is the molecular weight of RefChem:448740?
The molecular weight of RefChem:448740 is 411.14 g/mol.
Where can I buy RefChem:448740?
You can request a quote for RefChem:448740 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448740?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448740 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.