4-BOC-aminophenylacetic acid, methyl ester
TL;DR: 4-BOC-aminophenylacetic acid, methyl ester (CAS 112918-77-1) is a chemical compound with molecular formula C14H19NO4 and molecular weight 265.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetate
Also Known As: Methyl 4-(Boc-amino)phenylacetate, 4-BOC-aminophenylacetic acid, methyl ester, Methyl 2-(4-((tert-butoxycarbonyl)amino)phenyl)acetate, Methyl 2-(4-(tert-butoxycarbonylamino)phenyl)acetate, methyl 2-(4-(tert-butoxycarbonyl)phenyl)acetate
| Molecular Formula | C14H19NO4 |
|---|---|
| Molecular Weight | 265.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 265.1314 |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 112918-77-1 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CC=C(C=C1)CC(=O)OC |
| InChIKey | SWVCXLXHFUCMFW-UHFFFAOYSA-N |
Product Overview
4-BOC-aminophenylacetic acid, methyl ester (CAS 112918-77-1), with molecular formula C14H19NO4 and molecular weight 265.13 g/mol. IUPAC: methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetate.
Chemical Property Profile of 4-BOC-aminophenylacetic acid, methyl ester
Property Insights of 4-BOC-aminophenylacetic acid, methyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-BOC-aminophenylacetic acid, methyl ester. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-BOC-aminophenylacetic acid, methyl ester. Following Lipinski's Rule of Five, 4-BOC-aminophenylacetic acid, methyl 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 4-BOC-aminophenylacetic acid, methyl ester?
The CAS number of 4-BOC-aminophenylacetic acid, methyl ester is 112918-77-1.
What is the molecular formula of 4-BOC-aminophenylacetic acid, methyl ester?
The molecular formula of 4-BOC-aminophenylacetic acid, methyl ester is C14H19NO4.
What is the molecular weight of 4-BOC-aminophenylacetic acid, methyl ester?
The molecular weight of 4-BOC-aminophenylacetic acid, methyl ester is 265.13 g/mol.
Where can I buy 4-BOC-aminophenylacetic acid, methyl ester?
You can request a quote for 4-BOC-aminophenylacetic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-BOC-aminophenylacetic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-BOC-aminophenylacetic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.