AB00097183-01
TL;DR: AB00097183-01 (CAS 353462-73-4) is a chemical compound with molecular formula C17H18BrN3O2S and molecular weight 407.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-bromo-4-methoxyphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: AB00097183-01, 2-(3-bromo-4-methoxyphenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one, 2-(3-bromo-4-methoxyphenyl)-7-methyl-1,2,3,5,6,8-hexahydropyrido[2,3]thieno[2,4-d]pyrimidin-4-one, 2-(3-bromo-4-methoxyphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
| Molecular Formula | C17H18BrN3O2S |
|---|---|
| Molecular Weight | 407.03 g/mol |
| LogP | 3.3612 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 407.0303 |
| Heavy Atoms | 24 |
| Complexity | 820.4072 |
Chemical Identifiers
| CAS Number | 353462-73-4 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC)Br |
Product Overview
AB00097183-01 (CAS 353462-73-4), with molecular formula C17H18BrN3O2S and molecular weight 407.03 g/mol. IUPAC: 5-(3-bromo-4-methoxyphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of AB00097183-01
Property Insights of AB00097183-01
The XLogP value of 3.3612 indicates that AB00097183-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, AB00097183-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00097183-01 has 2 hydrogen bond donor(s) and 5 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 AB00097183-01?
The CAS number of AB00097183-01 is 353462-73-4.
What is the molecular formula of AB00097183-01?
The molecular formula of AB00097183-01 is C17H18BrN3O2S.
What is the molecular weight of AB00097183-01?
The molecular weight of AB00097183-01 is 407.03 g/mol.
Where can I buy AB00097183-01?
You can request a quote for AB00097183-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00097183-01?
Yes, KEHONG BIO provides custom synthesis services for AB00097183-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.