AB00865594-06
TL;DR: AB00865594-06 (CAS 708289-19-4) is a chemical compound with molecular formula C17H22ClN5O3S and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methoxyphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AB00865594-06, N-(3-chloro-4-methoxyphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-chloro-4-methoxyphenyl)-2-{[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C17H22ClN5O3S |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 2.0401 |
| Topological Polar Surface Area | 81.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.1132 |
| Heavy Atoms | 27 |
| Complexity | 794.8712 |
Chemical Identifiers
| CAS Number | 708289-19-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)OC)Cl)CN3CCOCC3 |
Product Overview
AB00865594-06 (CAS 708289-19-4), with molecular formula C17H22ClN5O3S and molecular weight 411.11 g/mol. IUPAC: N-(3-chloro-4-methoxyphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00865594-06
Property Insights of AB00865594-06
The XLogP value of 2.0401 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00865594-06. The TPSA of 81.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00865594-06. Following Lipinski's Rule of Five, AB00865594-06 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 AB00865594-06?
The CAS number of AB00865594-06 is 708289-19-4.
What is the molecular formula of AB00865594-06?
The molecular formula of AB00865594-06 is C17H22ClN5O3S.
What is the molecular weight of AB00865594-06?
The molecular weight of AB00865594-06 is 411.11 g/mol.
Where can I buy AB00865594-06?
You can request a quote for AB00865594-06 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00865594-06?
Yes, KEHONG BIO provides custom synthesis services for AB00865594-06 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.