![[3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate structure](/static/products/6020/6020-50-4.webp)
[3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate
TL;DR: [3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate (CAS 6020-50-4) is a chemical compound with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate
Also Known As: [3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate|Morphinan-3-ol, 4,5.alpha.-epoxy-17-methyl-, hemihydrate|Morphinan-3-ol, 4,5-epoxy-17-methyl-, hemihydrate, (5.alpha.)-|3-({[(3-Cyanophenyl)carbamoyl](2-methylpropyl)amino}methyl)phenyl methanesulfonate
| Molecular Formula | C20H23N3O4S |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | 3.58678 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.14093 |
| Heavy Atoms | 28 |
| Complexity | 980.9405 |
Chemical Identifiers
| CAS Number | 6020-50-4 |
|---|---|
| SMILES | CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)NC2=CC=CC(=C2)C#N |
Product Overview
[3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate (CAS 6020-50-4), with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol. IUPAC: [3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate.
Chemical Property Profile of [3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate
Property Insights of [3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate
The XLogP value of 3.58678 indicates that [3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate. Following Lipinski's Rule of Five, [3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate has 1 hydrogen bond donor(s) and 5 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 [3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate?
The CAS number of [3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate is 6020-50-4.
What is the molecular formula of [3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate?
The molecular formula of [3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate is C20H23N3O4S.
What is the molecular weight of [3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate?
The molecular weight of [3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate is 401.14 g/mol.
Where can I buy [3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate?
You can request a quote for [3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.