(4-Nitrophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
TL;DR: (4-Nitrophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate (CAS 5310-28-1) is a chemical compound with molecular formula C20H22N2O6 and molecular weight 386.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: 4-nitrobenzyl n-[(benzyloxy)carbonyl]valinate, 4-nitrobenzyl ((benzyloxy)carbonyl)valinate, (4-nitrophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate, N-[2,4-DICHLORO-5-[[(Z)-(6-OXO-5-PROP-2-ENYL-1-CYCLOHEXA-2,4-DIENYLIDENE)METHYL]AMINO]PHENYL]ACETAMIDE
| Molecular Formula | C20H22N2O6 |
|---|---|
| Molecular Weight | 386.15 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 386.1478 |
| Heavy Atoms | 28 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 5310-28-1 |
|---|---|
| SMILES | CC(C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2 |
| InChIKey | ALMXQZMYLWCKAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Nitrophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate (CAS 5310-28-1), with molecular formula C20H22N2O6 and molecular weight 386.15 g/mol. IUPAC: (4-nitrophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of (4-Nitrophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
Property Insights of (4-Nitrophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
The XLogP value of 4.0 indicates that (4-Nitrophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitrophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate. Following Lipinski's Rule of Five, (4-Nitrophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate has 1 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-Nitrophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate?
The CAS number of (4-Nitrophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate is 5310-28-1.
What is the molecular formula of (4-Nitrophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate?
The molecular formula of (4-Nitrophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate is C20H22N2O6.
What is the molecular weight of (4-Nitrophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate?
The molecular weight of (4-Nitrophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate is 386.15 g/mol.
Where can I buy (4-Nitrophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate?
You can request a quote for (4-Nitrophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.