AB00113334-01
TL;DR: AB00113334-01 (CAS 6636-64-2) is a chemical compound with molecular formula C26H24N4O4S and molecular weight 488.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethoxy-4-[3-[(4-methylphenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Also Known As: AB00113334-01, 2,6-dimethoxy-4-[3-[(4-methylphenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol, 2,6-dimethoxy-4-{3-[(4-methylbenzyl)thio]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol, 2,6-DIMETHOXY-4-{3-[(4-METHYLBENZYL)SULFANYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-6-YL}PHENOL, 2,6-Dimethoxy-4-(3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
| Molecular Formula | C26H24N4O4S |
|---|---|
| Molecular Weight | 488.15 g/mol |
| LogP | 5.36522 |
| Topological Polar Surface Area | 98.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.15182 |
| Heavy Atoms | 35 |
| Complexity | 1339.0607 |
Chemical Identifiers
| CAS Number | 6636-64-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4NC(O3)C5=CC(=C(C(=C5)OC)O)OC)N=N2 |
Product Overview
AB00113334-01 (CAS 6636-64-2), with molecular formula C26H24N4O4S and molecular weight 488.15 g/mol. IUPAC: 2,6-dimethoxy-4-[3-[(4-methylphenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol.
Chemical Property Profile of AB00113334-01
Property Insights of AB00113334-01
The XLogP value of 5.36522 indicates that AB00113334-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00113334-01. Following Lipinski's Rule of Five, AB00113334-01 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00113334-01?
The CAS number of AB00113334-01 is 6636-64-2.
What is the molecular formula of AB00113334-01?
The molecular formula of AB00113334-01 is C26H24N4O4S.
What is the molecular weight of AB00113334-01?
The molecular weight of AB00113334-01 is 488.15 g/mol.
Where can I buy AB00113334-01?
You can request a quote for AB00113334-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00113334-01?
Yes, KEHONG BIO provides custom synthesis services for AB00113334-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.