CDS1_003656
TL;DR: CDS1_003656 (CAS 6225-35-0) is a chemical compound with molecular formula C20H16Cl2N2O3 and molecular weight 402.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-4-[(2,3-dichlorophenyl)methylidene]-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate
Also Known As: CDS1_003656, BAS 02164287, BIM-0011196.P001, (Z)-methyl 4-(2,3-dichlorobenzylidene)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-4-(2,3-dichlorobenzylidene)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
| Molecular Formula | C20H16Cl2N2O3 |
|---|---|
| Molecular Weight | 402.05 g/mol |
| LogP | 4.2612 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.0538 |
| Heavy Atoms | 27 |
| Complexity | 968.447 |
Chemical Identifiers
| CAS Number | 6225-35-0 |
|---|---|
| SMILES | CC1=C(/C(=C/C2=C(C(=CC=C2)Cl)Cl)/C(=O)N1CC3=CN=CC=C3)C(=O)OC |
Product Overview
CDS1_003656 (CAS 6225-35-0), with molecular formula C20H16Cl2N2O3 and molecular weight 402.05 g/mol. IUPAC: methyl (4Z)-4-[(2,3-dichlorophenyl)methylidene]-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate.
Chemical Property Profile of CDS1_003656
Property Insights of CDS1_003656
The XLogP value of 4.2612 indicates that CDS1_003656 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.5 Ų, CDS1_003656 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CDS1_003656 has 0 hydrogen bond donor(s) and 4 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_003656?
The CAS number of CDS1_003656 is 6225-35-0.
What is the molecular formula of CDS1_003656?
The molecular formula of CDS1_003656 is C20H16Cl2N2O3.
What is the molecular weight of CDS1_003656?
The molecular weight of CDS1_003656 is 402.05 g/mol.
Where can I buy CDS1_003656?
You can request a quote for CDS1_003656 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_003656?
Yes, KEHONG BIO provides custom synthesis services for CDS1_003656 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.