AN-655/40858963
TL;DR: AN-655/40858963 (CAS 6464-14-8) is a chemical compound with molecular formula C28H24BrClN4O3S and molecular weight 610.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-bromo-6-(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AN-655/40858963, 10-bromo-6-(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(allylsulfanyl)-6-[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]-10-bromo-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 6-[4-(Benzyloxy)-3-chloro-5-ethoxyphenyl]-10-bromo-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C28H24BrClN4O3S |
|---|---|
| Molecular Weight | 610.04 g/mol |
| LogP | 7.7134 |
| Topological Polar Surface Area | 78.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 610.0441 |
| Heavy Atoms | 38 |
| Complexity | 1457.9652 |
Chemical Identifiers
| CAS Number | 6464-14-8 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2NC3=C(C=C(C=C3)Br)C4=C(O2)N=C(N=N4)SCC=C)Cl)OCC5=CC=CC=C5 |
Product Overview
AN-655/40858963 (CAS 6464-14-8), with molecular formula C28H24BrClN4O3S and molecular weight 610.04 g/mol. IUPAC: 10-bromo-6-(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AN-655/40858963
Property Insights of AN-655/40858963
The XLogP value of 7.7134 indicates that AN-655/40858963 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/40858963. Following Lipinski's Rule of Five, AN-655/40858963 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-655/40858963?
The CAS number of AN-655/40858963 is 6464-14-8.
What is the molecular formula of AN-655/40858963?
The molecular formula of AN-655/40858963 is C28H24BrClN4O3S.
What is the molecular weight of AN-655/40858963?
The molecular weight of AN-655/40858963 is 610.04 g/mol.
Where can I buy AN-655/40858963?
You can request a quote for AN-655/40858963 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/40858963?
Yes, KEHONG BIO provides custom synthesis services for AN-655/40858963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.