AN-465/40854081
TL;DR: AN-465/40854081 (CAS 445413-70-7) is a chemical compound with molecular formula C17H17BrCl2N6O2 and molecular weight 486.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazole-1,5-diamine
Also Known As: AN-465/40854081, N-(5-amino-1H-tetraazol-1-yl)-N-{3-bromo-4-[(2,4-dichlorobenzyl)oxy]-5-ethoxybenzyl}amine, 1-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazole-1,5-diamine
| Molecular Formula | C17H17BrCl2N6O2 |
|---|---|
| Molecular Weight | 486.00 g/mol |
| LogP | 4.046 |
| Topological Polar Surface Area | 100.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.99734 |
| Heavy Atoms | 28 |
| Complexity | 968.8158 |
Chemical Identifiers
| CAS Number | 445413-70-7 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)CNN2C(=NN=N2)N)Br)OCC3=C(C=C(C=C3)Cl)Cl |
Product Overview
AN-465/40854081 (CAS 445413-70-7), with molecular formula C17H17BrCl2N6O2 and molecular weight 486.00 g/mol. IUPAC: 1-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazole-1,5-diamine.
Chemical Property Profile of AN-465/40854081
Property Insights of AN-465/40854081
The XLogP value of 4.046 indicates that AN-465/40854081 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-465/40854081. Following Lipinski's Rule of Five, AN-465/40854081 has 2 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 AN-465/40854081?
The CAS number of AN-465/40854081 is 445413-70-7.
What is the molecular formula of AN-465/40854081?
The molecular formula of AN-465/40854081 is C17H17BrCl2N6O2.
What is the molecular weight of AN-465/40854081?
The molecular weight of AN-465/40854081 is 486.00 g/mol.
Where can I buy AN-465/40854081?
You can request a quote for AN-465/40854081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/40854081?
Yes, KEHONG BIO provides custom synthesis services for AN-465/40854081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.