AB00092847-01
TL;DR: AB00092847-01 (CAS 5672-16-2) is a chemical compound with molecular formula C23H26N4O4S and molecular weight 454.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylsulfanyl-6-(2,3,4-trimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AB00092847-01, 3-(butylsulfanyl)-6-(2,3,4-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(butylthio)-6-(2,3,4-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-butylsulfanyl-6-(2,3,4-trimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-[3-(BUTYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-6-YL]-2,6-DIMETHOXYPHENYL METHYL ETHER
| Molecular Formula | C23H26N4O4S |
|---|---|
| Molecular Weight | 454.17 g/mol |
| LogP | 4.9597 |
| Topological Polar Surface Area | 87.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.16748 |
| Heavy Atoms | 32 |
| Complexity | 1095.5867 |
Chemical Identifiers
| CAS Number | 5672-16-2 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C(=C(C=C4)OC)OC)OC)N=N1 |
Product Overview
AB00092847-01 (CAS 5672-16-2), with molecular formula C23H26N4O4S and molecular weight 454.17 g/mol. IUPAC: 3-butylsulfanyl-6-(2,3,4-trimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AB00092847-01
Property Insights of AB00092847-01
The XLogP value of 4.9597 indicates that AB00092847-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00092847-01. Following Lipinski's Rule of Five, AB00092847-01 has 1 hydrogen bond donor(s) and 9 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 AB00092847-01?
The CAS number of AB00092847-01 is 5672-16-2.
What is the molecular formula of AB00092847-01?
The molecular formula of AB00092847-01 is C23H26N4O4S.
What is the molecular weight of AB00092847-01?
The molecular weight of AB00092847-01 is 454.17 g/mol.
Where can I buy AB00092847-01?
You can request a quote for AB00092847-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00092847-01?
Yes, KEHONG BIO provides custom synthesis services for AB00092847-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.