tert-Butoxycarbonyl-ethyltyrosylhomoarginine methyl ester
TL;DR: tert-Butoxycarbonyl-ethyltyrosylhomoarginine methyl ester (CAS 88718-86-9) is a chemical compound with molecular formula C24H39N5O6 and molecular weight 493.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-6-(diaminomethylideneamino)-2-[[(2S)-3-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoate
Also Known As: Boc(Et-tyr-har) methyl ester, tert-Butoxycarbonyl-ethyltyrosylhomoarginine methyl ester, L-Lysine, N6-(aminoiminomethyl)-N2-(N-((1,1-dimethylethoxy)carbonyl)-O-ethyl-L-tyrosyl)-, methyl ester, Methyl N-(tert-butoxycarbonyl)-O-ethyl-L-tyrosyl-N~6~-(diaminomethylidene)-L-lysinate, methyl (2S)-6-(diaminomethylideneamino)-2-[[(2S)-3-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoate
| Molecular Formula | C24H39N5O6 |
|---|---|
| Molecular Weight | 493.29 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 16 |
| Exact Mass | 493.29004 |
| Heavy Atoms | 35 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 88718-86-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN=C(N)N)C(=O)OC)NC(=O)OC(C)(C)C |
| InChIKey | RFUOAPJYLQSSPK-OALUTQOASA-N |
Product Overview
tert-Butoxycarbonyl-ethyltyrosylhomoarginine methyl ester (CAS 88718-86-9), with molecular formula C24H39N5O6 and molecular weight 493.29 g/mol. IUPAC: methyl (2S)-6-(diaminomethylideneamino)-2-[[(2S)-3-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoate.
Chemical Property Profile of tert-Butoxycarbonyl-ethyltyrosylhomoarginine methyl ester
Property Insights of tert-Butoxycarbonyl-ethyltyrosylhomoarginine methyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butoxycarbonyl-ethyltyrosylhomoarginine methyl ester. The TPSA of 167.0 Ų indicates high polarity, suggesting tert-Butoxycarbonyl-ethyltyrosylhomoarginine methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tert-Butoxycarbonyl-ethyltyrosylhomoarginine methyl ester has 4 hydrogen bond donor(s) and 7 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-Butoxycarbonyl-ethyltyrosylhomoarginine methyl ester?
The CAS number of tert-Butoxycarbonyl-ethyltyrosylhomoarginine methyl ester is 88718-86-9.
What is the molecular formula of tert-Butoxycarbonyl-ethyltyrosylhomoarginine methyl ester?
The molecular formula of tert-Butoxycarbonyl-ethyltyrosylhomoarginine methyl ester is C24H39N5O6.
What is the molecular weight of tert-Butoxycarbonyl-ethyltyrosylhomoarginine methyl ester?
The molecular weight of tert-Butoxycarbonyl-ethyltyrosylhomoarginine methyl ester is 493.29 g/mol.
Where can I buy tert-Butoxycarbonyl-ethyltyrosylhomoarginine methyl ester?
You can request a quote for tert-Butoxycarbonyl-ethyltyrosylhomoarginine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butoxycarbonyl-ethyltyrosylhomoarginine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for tert-Butoxycarbonyl-ethyltyrosylhomoarginine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.