N-alpha-tert-Butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester
TL;DR: N-alpha-tert-Butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester (CAS 13613-39-3) is a chemical compound with molecular formula C23H25NO6 and molecular weight 411.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-(9H-fluoren-9-ylmethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
Also Known As: Boc-Asp(Ofm)-OH, BA-gamma-Fme, Anthrarufin, Boc-L-Asp(OFm)-OH, KST-1A1184
| Molecular Formula | C23H25NO6 |
|---|---|
| Molecular Weight | 411.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.16818 |
| Heavy Atoms | 30 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 13613-39-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O |
| InChIKey | NHLRMCFWGFPSLT-IBGZPJMESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-alpha-tert-Butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester (CAS 13613-39-3), with molecular formula C23H25NO6 and molecular weight 411.17 g/mol. IUPAC: (2S)-4-(9H-fluoren-9-ylmethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid.
Chemical Property Profile of N-alpha-tert-Butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester
Property Insights of N-alpha-tert-Butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester
The XLogP value of 3.5 indicates that N-alpha-tert-Butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-alpha-tert-Butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester. Following Lipinski's Rule of Five, N-alpha-tert-Butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester has 2 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 N-alpha-tert-Butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester?
The CAS number of N-alpha-tert-Butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester is 13613-39-3.
What is the molecular formula of N-alpha-tert-Butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester?
The molecular formula of N-alpha-tert-Butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester is C23H25NO6.
What is the molecular weight of N-alpha-tert-Butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester?
The molecular weight of N-alpha-tert-Butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester is 411.17 g/mol.
Where can I buy N-alpha-tert-Butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester?
You can request a quote for N-alpha-tert-Butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-alpha-tert-Butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-alpha-tert-Butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.