Clanobutin methyl derivative
TL;DR: Clanobutin methyl derivative (CAS 30544-62-8) is a chemical compound with molecular formula C19H20ClNO4 and molecular weight 361.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(N-(4-chlorobenzoyl)-4-methoxyanilino)butanoate
Also Known As: Clanobutin methyl derivative, methyl 4-(N-(4-chlorobenzoyl)-4-methoxyanilino)butanoate, Methyl 4-[(4-chlorobenzoyl)-4-methoxyanilino]butanoate #, Methyl 4-[(4-chlorobenzoyl)(4-methoxyphenyl)amino]butanoate
| Molecular Formula | C19H20ClNO4 |
|---|---|
| Molecular Weight | 361.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 361.1081 |
| Heavy Atoms | 25 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 30544-62-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N(CCCC(=O)OC)C(=O)C2=CC=C(C=C2)Cl |
| InChIKey | ACJGRBTWFMIBOD-UHFFFAOYSA-N |
Product Overview
Clanobutin methyl derivative (CAS 30544-62-8), with molecular formula C19H20ClNO4 and molecular weight 361.11 g/mol. IUPAC: methyl 4-(N-(4-chlorobenzoyl)-4-methoxyanilino)butanoate.
Chemical Property Profile of Clanobutin methyl derivative
Property Insights of Clanobutin methyl derivative
The XLogP value of 3.0 indicates that Clanobutin methyl derivative is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Clanobutin methyl derivative exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Clanobutin methyl derivative 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 Clanobutin methyl derivative?
The CAS number of Clanobutin methyl derivative is 30544-62-8.
What is the molecular formula of Clanobutin methyl derivative?
The molecular formula of Clanobutin methyl derivative is C19H20ClNO4.
What is the molecular weight of Clanobutin methyl derivative?
The molecular weight of Clanobutin methyl derivative is 361.11 g/mol.
Where can I buy Clanobutin methyl derivative?
You can request a quote for Clanobutin methyl derivative directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clanobutin methyl derivative?
Yes, KEHONG BIO provides custom synthesis services for Clanobutin methyl derivative and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.