A4049/0172706
TL;DR: A4049/0172706 (CAS 1005275-01-3) is a chemical compound with molecular formula C17H19N5O2S and molecular weight 357.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2-bicyclo[2.2.1]hept-5-enyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
Also Known As: A4049/0172706, 2-[1-(5-bicyclo[2.2.1]hept-2-enyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide, 2-((1-((1S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)-1H-tetrazol-5-yl)thio)-N-(4-methoxyphenyl)acetamide, 2-[(1-BICYCLO[2.2.1]HEPT-5-EN-2-YL-1H-1,2,3,4-TETRAAZOL-5-YL)SULFANYL]-N~1~-(4-METHOXYPHENYL)ACETAMIDE, 2-{[1-(bicyclo[2.2.1]hept-5-en-2-yl)-1H-tetrazol-5-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
| Molecular Formula | C17H19N5O2S |
|---|---|
| Molecular Weight | 357.13 g/mol |
| LogP | 2.5496 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.12595 |
| Heavy Atoms | 25 |
| Complexity | 788.5908 |
Chemical Identifiers
| CAS Number | 1005275-01-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3CC4CC3C=C4 |
Product Overview
A4049/0172706 (CAS 1005275-01-3), with molecular formula C17H19N5O2S and molecular weight 357.13 g/mol. IUPAC: 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide.
Chemical Property Profile of A4049/0172706
Property Insights of A4049/0172706
The XLogP value of 2.5496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4049/0172706. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for A4049/0172706. Following Lipinski's Rule of Five, A4049/0172706 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 A4049/0172706?
The CAS number of A4049/0172706 is 1005275-01-3.
What is the molecular formula of A4049/0172706?
The molecular formula of A4049/0172706 is C17H19N5O2S.
What is the molecular weight of A4049/0172706?
The molecular weight of A4049/0172706 is 357.13 g/mol.
Where can I buy A4049/0172706?
You can request a quote for A4049/0172706 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4049/0172706?
Yes, KEHONG BIO provides custom synthesis services for A4049/0172706 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.