Methyl (tert-butoxycarbonyl)-L-isoleucyl-L-phenylalaninate
TL;DR: Methyl (tert-butoxycarbonyl)-L-isoleucyl-L-phenylalaninate (CAS 97641-59-3) is a chemical compound with molecular formula C21H32N2O5 and molecular weight 392.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylpropanoate
Also Known As: BOC-Ile-Phe-OMe, METHYL (TERT-BUTOXYCARBONYL)-L-ISOLEUCYL-L-PHENYLALANINATE, methyl (2S)-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylpropanoate
| Molecular Formula | C21H32N2O5 |
|---|---|
| Molecular Weight | 392.23 g/mol |
| LogP | 2.8263 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 392.2311 |
| Heavy Atoms | 28 |
| Complexity | 654.5098 |
Chemical Identifiers
| CAS Number | 97641-59-3 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NC(=O)OC(C)(C)C |
Product Overview
Methyl (tert-butoxycarbonyl)-L-isoleucyl-L-phenylalaninate (CAS 97641-59-3), with molecular formula C21H32N2O5 and molecular weight 392.23 g/mol. IUPAC: methyl (2S)-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylpropanoate.
Chemical Property Profile of Methyl (tert-butoxycarbonyl)-L-isoleucyl-L-phenylalaninate
Property Insights of Methyl (tert-butoxycarbonyl)-L-isoleucyl-L-phenylalaninate
The XLogP value of 2.8263 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (tert-butoxycarbonyl)-L-isoleucyl-L-phenylalaninate. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (tert-butoxycarbonyl)-L-isoleucyl-L-phenylalaninate. Following Lipinski's Rule of Five, Methyl (tert-butoxycarbonyl)-L-isoleucyl-L-phenylalaninate has 2 hydrogen bond donor(s) and 5 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 Methyl (tert-butoxycarbonyl)-L-isoleucyl-L-phenylalaninate?
The CAS number of Methyl (tert-butoxycarbonyl)-L-isoleucyl-L-phenylalaninate is 97641-59-3.
What is the molecular formula of Methyl (tert-butoxycarbonyl)-L-isoleucyl-L-phenylalaninate?
The molecular formula of Methyl (tert-butoxycarbonyl)-L-isoleucyl-L-phenylalaninate is C21H32N2O5.
What is the molecular weight of Methyl (tert-butoxycarbonyl)-L-isoleucyl-L-phenylalaninate?
The molecular weight of Methyl (tert-butoxycarbonyl)-L-isoleucyl-L-phenylalaninate is 392.23 g/mol.
Where can I buy Methyl (tert-butoxycarbonyl)-L-isoleucyl-L-phenylalaninate?
You can request a quote for Methyl (tert-butoxycarbonyl)-L-isoleucyl-L-phenylalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (tert-butoxycarbonyl)-L-isoleucyl-L-phenylalaninate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (tert-butoxycarbonyl)-L-isoleucyl-L-phenylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.