CDS1_003927
TL;DR: CDS1_003927 (CAS 6012-22-2) is a chemical compound with molecular formula C22H12Cl2N2O6 and molecular weight 470.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-[5-[(Z)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
Also Known As: CDS1_003927, BAS 00886066, BIM-0017498.P001, AM-879/12211018, 2-chloro-4-[5-[(Z)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
| Molecular Formula | C22H12Cl2N2O6 |
|---|---|
| Molecular Weight | 470.01 g/mol |
| LogP | 4.618 |
| Topological Polar Surface Area | 116.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.00723 |
| Heavy Atoms | 32 |
| Complexity | 1310.2102 |
Chemical Identifiers
| CAS Number | 6012-22-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)/C(=C\C3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)/C(=O)NC2=O)Cl |
Product Overview
CDS1_003927 (CAS 6012-22-2), with molecular formula C22H12Cl2N2O6 and molecular weight 470.01 g/mol. IUPAC: 2-chloro-4-[5-[(Z)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of CDS1_003927
Property Insights of CDS1_003927
The XLogP value of 4.618 indicates that CDS1_003927 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.92 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_003927. Following Lipinski's Rule of Five, CDS1_003927 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 CDS1_003927?
The CAS number of CDS1_003927 is 6012-22-2.
What is the molecular formula of CDS1_003927?
The molecular formula of CDS1_003927 is C22H12Cl2N2O6.
What is the molecular weight of CDS1_003927?
The molecular weight of CDS1_003927 is 470.01 g/mol.
Where can I buy CDS1_003927?
You can request a quote for CDS1_003927 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_003927?
Yes, KEHONG BIO provides custom synthesis services for CDS1_003927 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.