AN-655/40858743
TL;DR: AN-655/40858743 (CAS 486995-71-5) is a chemical compound with molecular formula C22H19BrN4O3S and molecular weight 498.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(10-bromo-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenyl] propanoate
Also Known As: AN-655/40858743, [4-(10-bromo-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenyl] propanoate, 4-[3-(allylsulfanyl)-10-bromo-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propionate, 4-(3-(allylthio)-10-bromo-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-6-yl)phenyl propionate
| Molecular Formula | C22H19BrN4O3S |
|---|---|
| Molecular Weight | 498.04 g/mol |
| LogP | 5.3977 |
| Topological Polar Surface Area | 86.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.03613 |
| Heavy Atoms | 31 |
| Complexity | 1124.2389 |
Chemical Identifiers
| CAS Number | 486995-71-5 |
|---|---|
| SMILES | CCC(=O)OC1=CC=C(C=C1)C2NC3=C(C=C(C=C3)Br)C4=C(O2)N=C(N=N4)SCC=C |
Product Overview
AN-655/40858743 (CAS 486995-71-5), with molecular formula C22H19BrN4O3S and molecular weight 498.04 g/mol. IUPAC: [4-(10-bromo-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenyl] propanoate.
Chemical Property Profile of AN-655/40858743
Property Insights of AN-655/40858743
The XLogP value of 5.3977 indicates that AN-655/40858743 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/40858743. Following Lipinski's Rule of Five, AN-655/40858743 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-655/40858743?
The CAS number of AN-655/40858743 is 486995-71-5.
What is the molecular formula of AN-655/40858743?
The molecular formula of AN-655/40858743 is C22H19BrN4O3S.
What is the molecular weight of AN-655/40858743?
The molecular weight of AN-655/40858743 is 498.04 g/mol.
Where can I buy AN-655/40858743?
You can request a quote for AN-655/40858743 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/40858743?
Yes, KEHONG BIO provides custom synthesis services for AN-655/40858743 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.