AB00112796-01
TL;DR: AB00112796-01 (CAS 6633-44-9) is a chemical compound with molecular formula C24H21N5OS and molecular weight 427.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylphenyl)methylsulfanyl]-6-(6-methyl-2-pyridinyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AB00112796-01, 3-[(4-methylbenzyl)thio]-6-(6-methyl-2-pyridinyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-[(4-methylphenyl)methylsulfanyl]-6-(6-methylpyridin-2-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-[(4-METHYLBENZYL)SULFANYL]-6-(6-METHYL-2-PYRIDYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE, 3-{[(4-Methylphenyl)methyl]sulfanyl}-6-(6-methylpyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C24H21N5OS |
|---|---|
| Molecular Weight | 427.15 g/mol |
| LogP | 5.34584 |
| Topological Polar Surface Area | 72.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.14667 |
| Heavy Atoms | 31 |
| Complexity | 1228.8298 |
Chemical Identifiers
| CAS Number | 6633-44-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4NC(O3)C5=CC=CC(=N5)C)N=N2 |
Product Overview
AB00112796-01 (CAS 6633-44-9), with molecular formula C24H21N5OS and molecular weight 427.15 g/mol. IUPAC: 3-[(4-methylphenyl)methylsulfanyl]-6-(6-methyl-2-pyridinyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AB00112796-01
Property Insights of AB00112796-01
The XLogP value of 5.34584 indicates that AB00112796-01 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 AB00112796-01. Following Lipinski's Rule of Five, AB00112796-01 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 AB00112796-01?
The CAS number of AB00112796-01 is 6633-44-9.
What is the molecular formula of AB00112796-01?
The molecular formula of AB00112796-01 is C24H21N5OS.
What is the molecular weight of AB00112796-01?
The molecular weight of AB00112796-01 is 427.15 g/mol.
Where can I buy AB00112796-01?
You can request a quote for AB00112796-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112796-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112796-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.