4-(Methoxycarbonyl)phenyl 4-chloro-3-nitrobenzoate
TL;DR: 4-(Methoxycarbonyl)phenyl 4-chloro-3-nitrobenzoate (CAS 443734-01-8) is a chemical compound with molecular formula C15H10ClNO6 and molecular weight 335.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxycarbonylphenyl) 4-chloro-3-nitrobenzoate
Also Known As: 4-(methoxycarbonyl)phenyl 4-chloro-3-nitrobenzoate, (4-methoxycarbonylphenyl) 4-chloro-3-nitrobenzoate
| Molecular Formula | C15H10ClNO6 |
|---|---|
| Molecular Weight | 335.02 g/mol |
| LogP | 3.254 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.01965 |
| Heavy Atoms | 23 |
| Complexity | 772.0366 |
Chemical Identifiers
| CAS Number | 443734-01-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
4-(Methoxycarbonyl)phenyl 4-chloro-3-nitrobenzoate (CAS 443734-01-8), with molecular formula C15H10ClNO6 and molecular weight 335.02 g/mol. IUPAC: (4-methoxycarbonylphenyl) 4-chloro-3-nitrobenzoate.
Chemical Property Profile of 4-(Methoxycarbonyl)phenyl 4-chloro-3-nitrobenzoate
Property Insights of 4-(Methoxycarbonyl)phenyl 4-chloro-3-nitrobenzoate
The XLogP value of 3.254 indicates that 4-(Methoxycarbonyl)phenyl 4-chloro-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methoxycarbonyl)phenyl 4-chloro-3-nitrobenzoate. Following Lipinski's Rule of Five, 4-(Methoxycarbonyl)phenyl 4-chloro-3-nitrobenzoate 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 4-(Methoxycarbonyl)phenyl 4-chloro-3-nitrobenzoate?
The CAS number of 4-(Methoxycarbonyl)phenyl 4-chloro-3-nitrobenzoate is 443734-01-8.
What is the molecular formula of 4-(Methoxycarbonyl)phenyl 4-chloro-3-nitrobenzoate?
The molecular formula of 4-(Methoxycarbonyl)phenyl 4-chloro-3-nitrobenzoate is C15H10ClNO6.
What is the molecular weight of 4-(Methoxycarbonyl)phenyl 4-chloro-3-nitrobenzoate?
The molecular weight of 4-(Methoxycarbonyl)phenyl 4-chloro-3-nitrobenzoate is 335.02 g/mol.
Where can I buy 4-(Methoxycarbonyl)phenyl 4-chloro-3-nitrobenzoate?
You can request a quote for 4-(Methoxycarbonyl)phenyl 4-chloro-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methoxycarbonyl)phenyl 4-chloro-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methoxycarbonyl)phenyl 4-chloro-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.