AN-655/13869034
TL;DR: AN-655/13869034 (CAS 494867-71-9) is a chemical compound with molecular formula C25H31BrN4OS and molecular weight 514.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-bromo-3-ethylsulfanyl-6-(3,8,8-trimethyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-2-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AN-655/13869034, 10-bromo-6-(3,8,8-trimethyl-1,2,3,4,6,7,8,8a-octahydro-2-naphthalenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl ethyl sulfide, 10-bromo-3-ethylsulfanyl-6-(3,8,8-trimethyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-2-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C25H31BrN4OS |
|---|---|
| Molecular Weight | 514.14 g/mol |
| LogP | 6.9522 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 514.1402 |
| Heavy Atoms | 32 |
| Complexity | 1056.2325 |
Chemical Identifiers
| CAS Number | 494867-71-9 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC(O2)C4CC5C(=CCCC5(C)C)CC4C)N=N1 |
Product Overview
AN-655/13869034 (CAS 494867-71-9), with molecular formula C25H31BrN4OS and molecular weight 514.14 g/mol. IUPAC: 10-bromo-3-ethylsulfanyl-6-(3,8,8-trimethyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-2-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AN-655/13869034
Property Insights of AN-655/13869034
The XLogP value of 6.9522 indicates that AN-655/13869034 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.93 Ų, AN-655/13869034 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-655/13869034 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-655/13869034?
The CAS number of AN-655/13869034 is 494867-71-9.
What is the molecular formula of AN-655/13869034?
The molecular formula of AN-655/13869034 is C25H31BrN4OS.
What is the molecular weight of AN-655/13869034?
The molecular weight of AN-655/13869034 is 514.14 g/mol.
Where can I buy AN-655/13869034?
You can request a quote for AN-655/13869034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13869034?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13869034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.