AB00106288-01
TL;DR: AB00106288-01 (CAS 354780-69-1) is a chemical compound with molecular formula C19H18BrN5OS and molecular weight 443.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-bromo-3-butylsulfanyl-6-pyridin-4-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AB00106288-01, AN-655/14573007, 10-bromo-3-butylsulfanyl-6-pyridin-4-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 10-BROMO-3-(BUTYLSULFANYL)-6-(4-PYRIDYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE, 10-bromo-3-(butylthio)-6-pyridin-4-yl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C19H18BrN5OS |
|---|---|
| Molecular Weight | 443.04 g/mol |
| LogP | 5.0914 |
| Topological Polar Surface Area | 72.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.04153 |
| Heavy Atoms | 27 |
| Complexity | 940.63806 |
Chemical Identifiers
| CAS Number | 354780-69-1 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC(O2)C4=CC=NC=C4)N=N1 |
Product Overview
AB00106288-01 (CAS 354780-69-1), with molecular formula C19H18BrN5OS and molecular weight 443.04 g/mol. IUPAC: 10-bromo-3-butylsulfanyl-6-pyridin-4-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AB00106288-01
Property Insights of AB00106288-01
The XLogP value of 5.0914 indicates that AB00106288-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00106288-01. Following Lipinski's Rule of Five, AB00106288-01 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00106288-01?
The CAS number of AB00106288-01 is 354780-69-1.
What is the molecular formula of AB00106288-01?
The molecular formula of AB00106288-01 is C19H18BrN5OS.
What is the molecular weight of AB00106288-01?
The molecular weight of AB00106288-01 is 443.04 g/mol.
Where can I buy AB00106288-01?
You can request a quote for AB00106288-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106288-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106288-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.