tert-Butyloxycarbonyl-1-alanine 4-methylumbelliferyl ester
TL;DR: tert-Butyloxycarbonyl-1-alanine 4-methylumbelliferyl ester (CAS 138474-38-1) is a chemical compound with molecular formula C18H21NO6 and molecular weight 347.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: Boc-ala-omc, tert-Butyloxycarbonyl-1-alanine 4-methylumbelliferyl ester, (4-methyl-2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate, tert-butyloxycarbonyl-1-alanine4-methylumbelliferylester, 4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-L-alaninate
| Molecular Formula | C18H21NO6 |
|---|---|
| Molecular Weight | 347.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.1369 |
| Heavy Atoms | 25 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 138474-38-1 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)[C@H](C)NC(=O)OC(C)(C)C |
| InChIKey | AQPFJTVMYYRFAH-NSHDSACASA-N |
Product Overview
tert-Butyloxycarbonyl-1-alanine 4-methylumbelliferyl ester (CAS 138474-38-1), with molecular formula C18H21NO6 and molecular weight 347.14 g/mol. IUPAC: (4-methyl-2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of tert-Butyloxycarbonyl-1-alanine 4-methylumbelliferyl ester
Property Insights of tert-Butyloxycarbonyl-1-alanine 4-methylumbelliferyl ester
The XLogP value of 3.1 indicates that tert-Butyloxycarbonyl-1-alanine 4-methylumbelliferyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyloxycarbonyl-1-alanine 4-methylumbelliferyl ester. Following Lipinski's Rule of Five, tert-Butyloxycarbonyl-1-alanine 4-methylumbelliferyl ester 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 tert-Butyloxycarbonyl-1-alanine 4-methylumbelliferyl ester?
The CAS number of tert-Butyloxycarbonyl-1-alanine 4-methylumbelliferyl ester is 138474-38-1.
What is the molecular formula of tert-Butyloxycarbonyl-1-alanine 4-methylumbelliferyl ester?
The molecular formula of tert-Butyloxycarbonyl-1-alanine 4-methylumbelliferyl ester is C18H21NO6.
What is the molecular weight of tert-Butyloxycarbonyl-1-alanine 4-methylumbelliferyl ester?
The molecular weight of tert-Butyloxycarbonyl-1-alanine 4-methylumbelliferyl ester is 347.14 g/mol.
Where can I buy tert-Butyloxycarbonyl-1-alanine 4-methylumbelliferyl ester?
You can request a quote for tert-Butyloxycarbonyl-1-alanine 4-methylumbelliferyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyloxycarbonyl-1-alanine 4-methylumbelliferyl ester?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyloxycarbonyl-1-alanine 4-methylumbelliferyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.