RefChem:269728
TL;DR: RefChem:269728 (CAS 40889-61-0) is a chemical compound with molecular formula C19H17Cl2N5O3S and molecular weight 465.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-3-(4-methoxyphenyl)thiourea
Also Known As: 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide, 1-[[2-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-3-(4-methoxyphenyl)thiourea, 2-[(6,8-Dichloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetyl]-N-(4-methoxyphenyl)hydrazine-1-carbothioamide, BRN 0866896, RefChem:269728
| Molecular Formula | C19H17Cl2N5O3S |
|---|---|
| Molecular Weight | 465.04 g/mol |
| LogP | 3.03812 |
| Topological Polar Surface Area | 97.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 465.0429 |
| Heavy Atoms | 30 |
| Complexity | 1181.4888 |
Chemical Identifiers
| CAS Number | 40889-61-0 |
|---|---|
| SMILES | CC1=NC2=C(C=C(C=C2Cl)Cl)C(=O)N1CC(=O)NNC(=S)NC3=CC=C(C=C3)OC |
Product Overview
RefChem:269728 (CAS 40889-61-0), with molecular formula C19H17Cl2N5O3S and molecular weight 465.04 g/mol. IUPAC: 1-[[2-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-3-(4-methoxyphenyl)thiourea.
Chemical Property Profile of RefChem:269728
Property Insights of RefChem:269728
The XLogP value of 3.03812 indicates that RefChem:269728 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.28 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:269728. Following Lipinski's Rule of Five, RefChem:269728 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 RefChem:269728?
The CAS number of RefChem:269728 is 40889-61-0.
What is the molecular formula of RefChem:269728?
The molecular formula of RefChem:269728 is C19H17Cl2N5O3S.
What is the molecular weight of RefChem:269728?
The molecular weight of RefChem:269728 is 465.04 g/mol.
Where can I buy RefChem:269728?
You can request a quote for RefChem:269728 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:269728?
Yes, KEHONG BIO provides custom synthesis services for RefChem:269728 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.