AB00671811-01
TL;DR: AB00671811-01 (CAS 887899-13-0) is a chemical compound with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3-methoxyphenyl)thiourea
Also Known As: AB00671811-01, F0667-0230, 1-(2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)-3-(3-methoxyphenyl)thiourea, 1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3-methoxyphenyl)thiourea, 3-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-1-(3-methoxyphenyl)thiourea
| Molecular Formula | C21H23N3O4S |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 3.083 |
| Topological Polar Surface Area | 84.61 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.14093 |
| Heavy Atoms | 29 |
| Complexity | 1081.1996 |
Chemical Identifiers
| CAS Number | 887899-13-0 |
|---|---|
| SMILES | COC1=C2C=C(C(=O)NC2=C(C=C1)OC)CCNC(=S)NC3=CC(=CC=C3)OC |
Product Overview
AB00671811-01 (CAS 887899-13-0), with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol. IUPAC: 1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3-methoxyphenyl)thiourea.
Chemical Property Profile of AB00671811-01
Property Insights of AB00671811-01
The XLogP value of 3.083 indicates that AB00671811-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.61 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00671811-01. Following Lipinski's Rule of Five, AB00671811-01 has 3 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 AB00671811-01?
The CAS number of AB00671811-01 is 887899-13-0.
What is the molecular formula of AB00671811-01?
The molecular formula of AB00671811-01 is C21H23N3O4S.
What is the molecular weight of AB00671811-01?
The molecular weight of AB00671811-01 is 413.14 g/mol.
Where can I buy AB00671811-01?
You can request a quote for AB00671811-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00671811-01?
Yes, KEHONG BIO provides custom synthesis services for AB00671811-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.