C19H13Cl2NO5
TL;DR: C19H13Cl2NO5 (CAS 469875-72-7) is a chemical compound with molecular formula C19H13Cl2NO5 and molecular weight 405.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
Also Known As: (E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 2,4-dichlorobenzoate, 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2,4-dichlorobenzoate, methyl (2E)-3-[4-(2,4-dichlorophenylcarbonyloxy)-3-methoxyphenyl]-2-cyanoprop- 2-enoate
| Molecular Formula | C19H13Cl2NO5 |
|---|---|
| Molecular Weight | 405.02 g/mol |
| LogP | 4.30118 |
| Topological Polar Surface Area | 85.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.0171 |
| Heavy Atoms | 27 |
| Complexity | 963.05774 |
Chemical Identifiers
| CAS Number | 469875-72-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OC)OC(=O)C2=C(C=C(C=C2)Cl)Cl |
Product Overview
C19H13Cl2NO5 (CAS 469875-72-7), with molecular formula C19H13Cl2NO5 and molecular weight 405.02 g/mol. IUPAC: [4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 2,4-dichlorobenzoate.
Chemical Property Profile of C19H13Cl2NO5
Property Insights of C19H13Cl2NO5
The XLogP value of 4.30118 indicates that C19H13Cl2NO5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.62 Ų falls within the moderate polarity range, balancing permeability and solubility for C19H13Cl2NO5. Following Lipinski's Rule of Five, C19H13Cl2NO5 has 0 hydrogen bond donor(s) and 6 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 C19H13Cl2NO5?
The CAS number of C19H13Cl2NO5 is 469875-72-7.
What is the molecular formula of C19H13Cl2NO5?
The molecular formula of C19H13Cl2NO5 is C19H13Cl2NO5.
What is the molecular weight of C19H13Cl2NO5?
The molecular weight of C19H13Cl2NO5 is 405.02 g/mol.
Where can I buy C19H13Cl2NO5?
You can request a quote for C19H13Cl2NO5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H13Cl2NO5?
Yes, KEHONG BIO provides custom synthesis services for C19H13Cl2NO5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.