AN-465/41990081
TL;DR: AN-465/41990081 (CAS 700862-51-7) is a chemical compound with molecular formula C17H24BrN5O3S and molecular weight 457.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-bromo-6-methoxy-4-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]-N-tert-butylacetamide
Also Known As: AN-465/41990081, 2-(2-bromo-6-methoxy-4-{[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)amino]methyl}phenoxy)-N-(tert-butyl)acetamide, 2-[2-bromo-6-methoxy-4-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]-N-tert-butylacetamide, 2-(2-bromo-6-methoxy-4-{[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)amino]methyl}phenoxy)-N-tert-butylacetamide, 2-{2-Bromo-4-[(3-mercapto-5-methyl-[1,2,4]triazol-4-ylamino)-methyl]-6-methoxy-phenoxy}-N-tert-butyl-acetamide
| Molecular Formula | C17H24BrN5O3S |
|---|---|
| Molecular Weight | 457.08 g/mol |
| LogP | 3.05741 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.0783 |
| Heavy Atoms | 27 |
| Complexity | 872.42944 |
Chemical Identifiers
| CAS Number | 700862-51-7 |
|---|---|
| SMILES | CC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Br)OCC(=O)NC(C)(C)C)OC |
Product Overview
AN-465/41990081 (CAS 700862-51-7), with molecular formula C17H24BrN5O3S and molecular weight 457.08 g/mol. IUPAC: 2-[2-bromo-6-methoxy-4-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]-N-tert-butylacetamide.
Chemical Property Profile of AN-465/41990081
Property Insights of AN-465/41990081
The XLogP value of 3.05741 indicates that AN-465/41990081 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-465/41990081. Following Lipinski's Rule of Five, AN-465/41990081 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-465/41990081?
The CAS number of AN-465/41990081 is 700862-51-7.
What is the molecular formula of AN-465/41990081?
The molecular formula of AN-465/41990081 is C17H24BrN5O3S.
What is the molecular weight of AN-465/41990081?
The molecular weight of AN-465/41990081 is 457.08 g/mol.
Where can I buy AN-465/41990081?
You can request a quote for AN-465/41990081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/41990081?
Yes, KEHONG BIO provides custom synthesis services for AN-465/41990081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.