Carbanilic acid, 4-(3-(methoxycarbonyl)propyl)-, benzyl ester
TL;DR: Carbanilic acid, 4-(3-(methoxycarbonyl)propyl)-, benzyl ester (CAS 4252-28-2) is a chemical compound with molecular formula C19H21NO4 and molecular weight 327.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(phenylmethoxycarbonylamino)phenyl]butanoate
Also Known As: CARBANILIC ACID, 4-(3-(METHOXYCARBONYL)PROPYL)-, BENZYL ESTER, Methyl-4-(p-(benzyloxycarbonylamino)-phenyl)butyrate, methyl 4-[4-(phenylmethoxycarbonylamino)phenyl]butanoate, methyl 4-(4-{[(benzyloxy)carbonyl]amino}phenyl)butanoate, 4-[3-(Methoxycarbonyl)propyl]carbanilic acid benzyl ester
| Molecular Formula | C19H21NO4 |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 327.14706 |
| Heavy Atoms | 24 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 4252-28-2 |
|---|---|
| SMILES | COC(=O)CCCC1=CC=C(C=C1)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | RNHLZVAKVRCBJV-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, 4-(3-(methoxycarbonyl)propyl)-, benzyl ester (CAS 4252-28-2), with molecular formula C19H21NO4 and molecular weight 327.15 g/mol. IUPAC: methyl 4-[4-(phenylmethoxycarbonylamino)phenyl]butanoate.
Chemical Property Profile of Carbanilic acid, 4-(3-(methoxycarbonyl)propyl)-, benzyl ester
Property Insights of Carbanilic acid, 4-(3-(methoxycarbonyl)propyl)-, benzyl ester
The XLogP value of 3.4 indicates that Carbanilic acid, 4-(3-(methoxycarbonyl)propyl)-, benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbanilic acid, 4-(3-(methoxycarbonyl)propyl)-, benzyl ester. Following Lipinski's Rule of Five, Carbanilic acid, 4-(3-(methoxycarbonyl)propyl)-, benzyl ester has 1 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 Carbanilic acid, 4-(3-(methoxycarbonyl)propyl)-, benzyl ester?
The CAS number of Carbanilic acid, 4-(3-(methoxycarbonyl)propyl)-, benzyl ester is 4252-28-2.
What is the molecular formula of Carbanilic acid, 4-(3-(methoxycarbonyl)propyl)-, benzyl ester?
The molecular formula of Carbanilic acid, 4-(3-(methoxycarbonyl)propyl)-, benzyl ester is C19H21NO4.
What is the molecular weight of Carbanilic acid, 4-(3-(methoxycarbonyl)propyl)-, benzyl ester?
The molecular weight of Carbanilic acid, 4-(3-(methoxycarbonyl)propyl)-, benzyl ester is 327.15 g/mol.
Where can I buy Carbanilic acid, 4-(3-(methoxycarbonyl)propyl)-, benzyl ester?
You can request a quote for Carbanilic acid, 4-(3-(methoxycarbonyl)propyl)-, benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, 4-(3-(methoxycarbonyl)propyl)-, benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 4-(3-(methoxycarbonyl)propyl)-, benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.