N-(4-propan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
TL;DR: N-(4-propan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide (CAS 904810-38-4) is a chemical compound with molecular formula C15H19N5OS and molecular weight 317.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-propan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
Also Known As: AO-080/41811621, N-(4-propan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide, 2-[(1-allyl-1H-tetraazol-5-yl)sulfanyl]-N-(4-isopropylphenyl)acetamide, 2-[(1-allyl-1H-tetrazol-5-yl)thio]-N-(4-isopropylphenyl)acetamide, N-[4-(propan-2-yl)phenyl]-2-{[1-(prop-2-en-1-yl)-1H-tetrazol-5-yl]sulfanyl}acetamide
| Molecular Formula | C15H19N5OS |
|---|---|
| Molecular Weight | 317.13 g/mol |
| LogP | 2.7133 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.13104 |
| Heavy Atoms | 22 |
| Complexity | 635.63727 |
Chemical Identifiers
| CAS Number | 904810-38-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2CC=C |
Product Overview
N-(4-propan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide (CAS 904810-38-4), with molecular formula C15H19N5OS and molecular weight 317.13 g/mol. IUPAC: N-(4-propan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide.
Chemical Property Profile of N-(4-propan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
Property Insights of N-(4-propan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
The XLogP value of 2.7133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-propan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-propan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide. Following Lipinski's Rule of Five, N-(4-propan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide has 1 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 N-(4-propan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide?
The CAS number of N-(4-propan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide is 904810-38-4.
What is the molecular formula of N-(4-propan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide?
The molecular formula of N-(4-propan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide is C15H19N5OS.
What is the molecular weight of N-(4-propan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide?
The molecular weight of N-(4-propan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide is 317.13 g/mol.
Where can I buy N-(4-propan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide?
You can request a quote for N-(4-propan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-propan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-propan-2-ylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.