AN-465/42162937
TL;DR: AN-465/42162937 (CAS 708997-92-6) is a chemical compound with molecular formula C20H28BrN5O3S and molecular weight 497.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-bromo-6-ethoxy-4-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]-N-cyclohexylacetamide
Also Known As: AN-465/42162937, 2-(2-bromo-6-ethoxy-4-{[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)amino]methyl}phenoxy)-N-cyclohexylacetamide, 2-[2-bromo-6-ethoxy-4-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]-N-cyclohexylacetamide, 2-{2-Bromo-6-ethoxy-4-[(3-mercapto-5-methyl-[1,2,4]triazol-4-ylamino)-methyl]-phenoxy}-N-cyclohexyl-acetamide
| Molecular Formula | C20H28BrN5O3S |
|---|---|
| Molecular Weight | 497.11 g/mol |
| LogP | 3.98171 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 497.10962 |
| Heavy Atoms | 30 |
| Complexity | 923.6511 |
Chemical Identifiers
| CAS Number | 708997-92-6 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C)Br)OCC(=O)NC3CCCCC3 |
Product Overview
AN-465/42162937 (CAS 708997-92-6), with molecular formula C20H28BrN5O3S and molecular weight 497.11 g/mol. IUPAC: 2-[2-bromo-6-ethoxy-4-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]-N-cyclohexylacetamide.
Chemical Property Profile of AN-465/42162937
Property Insights of AN-465/42162937
The XLogP value of 3.98171 indicates that AN-465/42162937 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-465/42162937. Following Lipinski's Rule of Five, AN-465/42162937 has 3 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 AN-465/42162937?
The CAS number of AN-465/42162937 is 708997-92-6.
What is the molecular formula of AN-465/42162937?
The molecular formula of AN-465/42162937 is C20H28BrN5O3S.
What is the molecular weight of AN-465/42162937?
The molecular weight of AN-465/42162937 is 497.11 g/mol.
Where can I buy AN-465/42162937?
You can request a quote for AN-465/42162937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/42162937?
Yes, KEHONG BIO provides custom synthesis services for AN-465/42162937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.