t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester
TL;DR: t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester (CAS 102714-80-7) is a chemical compound with molecular formula C24H37N3O6S and molecular weight 495.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[2-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-phenylpropanoate
Also Known As: Boc-met-aib-phe-ome, Boc-L-Met-Aib-L-Phe-OMe, 1-Cyano-4,5-dimethoxy-2-nitrobenzene, t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester, methyl (2S)-2-[[2-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-phenylpropanoate
| Molecular Formula | C24H37N3O6S |
|---|---|
| Molecular Weight | 495.24 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 495.2403 |
| Heavy Atoms | 34 |
| Complexity | 701.0 |
Chemical Identifiers
| CAS Number | 102714-80-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)NC(C)(C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC |
| InChIKey | FFMYWYKYVNEZIV-ROUUACIJSA-N |
Product Overview
t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester (CAS 102714-80-7), with molecular formula C24H37N3O6S and molecular weight 495.24 g/mol. IUPAC: methyl (2S)-2-[[2-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-phenylpropanoate.
Chemical Property Profile of t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester
Property Insights of t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester
The XLogP value of 3.2 indicates that t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester has 3 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 t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester?
The CAS number of t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester is 102714-80-7.
What is the molecular formula of t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester?
The molecular formula of t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester is C24H37N3O6S.
What is the molecular weight of t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester?
The molecular weight of t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester is 495.24 g/mol.
Where can I buy t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester?
You can request a quote for t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.