ChemDiv1_002982
TL;DR: ChemDiv1_002982 (CAS 330951-72-9) is a chemical compound with molecular formula C19H12BrClN2O5S and molecular weight 493.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-bromo-4-[[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
Also Known As: ChemDiv1_002982, 2-(2-bromo-4-((1-(4-chlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid, 2-[2-bromo-4-[[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
| Molecular Formula | C19H12BrClN2O5S |
|---|---|
| Molecular Weight | 493.93 g/mol |
| LogP | 3.3972 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.93387 |
| Heavy Atoms | 29 |
| Complexity | 1055.0651 |
Chemical Identifiers
| CAS Number | 330951-72-9 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)O)Br)C(=O)NC2=S)Cl |
Product Overview
ChemDiv1_002982 (CAS 330951-72-9), with molecular formula C19H12BrClN2O5S and molecular weight 493.93 g/mol. IUPAC: 2-[2-bromo-4-[[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of ChemDiv1_002982
Property Insights of ChemDiv1_002982
The XLogP value of 3.3972 indicates that ChemDiv1_002982 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002982. Following Lipinski's Rule of Five, ChemDiv1_002982 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 ChemDiv1_002982?
The CAS number of ChemDiv1_002982 is 330951-72-9.
What is the molecular formula of ChemDiv1_002982?
The molecular formula of ChemDiv1_002982 is C19H12BrClN2O5S.
What is the molecular weight of ChemDiv1_002982?
The molecular weight of ChemDiv1_002982 is 493.93 g/mol.
Where can I buy ChemDiv1_002982?
You can request a quote for ChemDiv1_002982 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002982?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002982 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.