RefChem:448734
TL;DR: RefChem:448734 (CAS 578003-91-5) is a chemical compound with molecular formula C19H19N5O2S and molecular weight 381.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(2-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-{[4-allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide, 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide, N-(2-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, 2-{[4-allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}-N-(2-methoxyphenyl)acetamide
| Molecular Formula | C19H19N5O2S |
|---|---|
| Molecular Weight | 381.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 381.12595 |
| Heavy Atoms | 27 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 578003-91-5 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=N3 |
| InChIKey | ZZIMZSHPRHYZTB-UHFFFAOYSA-N |
Product Overview
RefChem:448734 (CAS 578003-91-5), with molecular formula C19H19N5O2S and molecular weight 381.13 g/mol. IUPAC: N-(2-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:448734
Property Insights of RefChem:448734
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:448734. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:448734. Following Lipinski's Rule of Five, RefChem:448734 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 RefChem:448734?
The CAS number of RefChem:448734 is 578003-91-5.
What is the molecular formula of RefChem:448734?
The molecular formula of RefChem:448734 is C19H19N5O2S.
What is the molecular weight of RefChem:448734?
The molecular weight of RefChem:448734 is 381.13 g/mol.
Where can I buy RefChem:448734?
You can request a quote for RefChem:448734 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448734?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448734 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.