AB00113085-01
TL;DR: AB00113085-01 (CAS 354785-73-2) is a chemical compound with molecular formula C19H18N4OS and molecular weight 350.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-3-[(4-methylphenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AB00113085-01, AN-655/14767005, 6-methyl-3-[(4-methylphenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 4-METHYLBENZYL (6-METHYL-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-3-YL) SULFIDE, 4-methylbenzyl 6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide
| Molecular Formula | C19H18N4OS |
|---|---|
| Molecular Weight | 350.12 g/mol |
| LogP | 4.28962 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.12012 |
| Heavy Atoms | 25 |
| Complexity | 898.18085 |
Chemical Identifiers
| CAS Number | 354785-73-2 |
|---|---|
| SMILES | CC1NC2=CC=CC=C2C3=C(O1)N=C(N=N3)SCC4=CC=C(C=C4)C |
Product Overview
AB00113085-01 (CAS 354785-73-2), with molecular formula C19H18N4OS and molecular weight 350.12 g/mol. IUPAC: 6-methyl-3-[(4-methylphenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AB00113085-01
Property Insights of AB00113085-01
The XLogP value of 4.28962 indicates that AB00113085-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.93 Ų, AB00113085-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00113085-01 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00113085-01?
The CAS number of AB00113085-01 is 354785-73-2.
What is the molecular formula of AB00113085-01?
The molecular formula of AB00113085-01 is C19H18N4OS.
What is the molecular weight of AB00113085-01?
The molecular weight of AB00113085-01 is 350.12 g/mol.
Where can I buy AB00113085-01?
You can request a quote for AB00113085-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00113085-01?
Yes, KEHONG BIO provides custom synthesis services for AB00113085-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.