AN-465/41989842
TL;DR: AN-465/41989842 (CAS 700858-27-1) is a chemical compound with molecular formula C17H24BrN5O3 and molecular weight 425.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-bromo-6-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]-N-tert-butylacetamide
Also Known As: AN-465/41989842, 2-{2-bromo-6-ethoxy-4-[(4H-1,2,4-triazol-4-ylamino)methyl]phenoxy}-N-(tert-butyl)acetamide, 2-[2-bromo-6-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]-N-tert-butylacetamide, 2-[2-Bromo-6-ethoxy-4-([1,2,4]triazol-4-ylaminomethyl)-phenoxy]-N-tert-butyl-acetamide, 2-{2-bromo-6-ethoxy-4-[(4H-1,2,4-triazol-4-ylamino)methyl]phenoxy}-N-tert-butylacetamide
| Molecular Formula | C17H24BrN5O3 |
|---|---|
| Molecular Weight | 425.11 g/mol |
| LogP | 2.4765 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.10626 |
| Heavy Atoms | 26 |
| Complexity | 728.73987 |
Chemical Identifiers
| CAS Number | 700858-27-1 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)CNN2C=NN=C2)Br)OCC(=O)NC(C)(C)C |
Product Overview
AN-465/41989842 (CAS 700858-27-1), with molecular formula C17H24BrN5O3 and molecular weight 425.11 g/mol. IUPAC: 2-[2-bromo-6-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]-N-tert-butylacetamide.
Chemical Property Profile of AN-465/41989842
Property Insights of AN-465/41989842
The XLogP value of 2.4765 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-465/41989842. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-465/41989842. Following Lipinski's Rule of Five, AN-465/41989842 has 2 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-465/41989842?
The CAS number of AN-465/41989842 is 700858-27-1.
What is the molecular formula of AN-465/41989842?
The molecular formula of AN-465/41989842 is C17H24BrN5O3.
What is the molecular weight of AN-465/41989842?
The molecular weight of AN-465/41989842 is 425.11 g/mol.
Where can I buy AN-465/41989842?
You can request a quote for AN-465/41989842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/41989842?
Yes, KEHONG BIO provides custom synthesis services for AN-465/41989842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.