N-Butyloxycarbonyl-phenylalanyl-dehydroleucyl-valine methyl ester
TL;DR: N-Butyloxycarbonyl-phenylalanyl-dehydroleucyl-valine methyl ester (CAS 129229-16-9) is a chemical compound with molecular formula C26H39N3O6 and molecular weight 489.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-2-[[(E)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pent-2-enoyl]amino]butanoate
Also Known As: Nbdlv-och3, N-Boc-phe-dehydro-leu-val-och3, N-Butyloxycarbonyl-phenylalanyl-dehydroleucyl-valine methyl ester, methyl 3-methyl-2-[[(E)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pent-2-enoyl]amino]butanoate, RefChem:163063
| Molecular Formula | C26H39N3O6 |
|---|---|
| Molecular Weight | 489.28 g/mol |
| LogP | 3.0923 |
| Topological Polar Surface Area | 122.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 489.28387 |
| Heavy Atoms | 35 |
| Complexity | 903.41223 |
Chemical Identifiers
| CAS Number | 129229-16-9 |
|---|---|
| SMILES | CC(C)/C=C(\C(=O)NC(C(C)C)C(=O)OC)/NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C |
Product Overview
N-Butyloxycarbonyl-phenylalanyl-dehydroleucyl-valine methyl ester (CAS 129229-16-9), with molecular formula C26H39N3O6 and molecular weight 489.28 g/mol. IUPAC: methyl 3-methyl-2-[[(E)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pent-2-enoyl]amino]butanoate.
Chemical Property Profile of N-Butyloxycarbonyl-phenylalanyl-dehydroleucyl-valine methyl ester
Property Insights of N-Butyloxycarbonyl-phenylalanyl-dehydroleucyl-valine methyl ester
The XLogP value of 3.0923 indicates that N-Butyloxycarbonyl-phenylalanyl-dehydroleucyl-valine methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.83 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Butyloxycarbonyl-phenylalanyl-dehydroleucyl-valine methyl ester. Following Lipinski's Rule of Five, N-Butyloxycarbonyl-phenylalanyl-dehydroleucyl-valine methyl ester has 3 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-Butyloxycarbonyl-phenylalanyl-dehydroleucyl-valine methyl ester?
The CAS number of N-Butyloxycarbonyl-phenylalanyl-dehydroleucyl-valine methyl ester is 129229-16-9.
What is the molecular formula of N-Butyloxycarbonyl-phenylalanyl-dehydroleucyl-valine methyl ester?
The molecular formula of N-Butyloxycarbonyl-phenylalanyl-dehydroleucyl-valine methyl ester is C26H39N3O6.
What is the molecular weight of N-Butyloxycarbonyl-phenylalanyl-dehydroleucyl-valine methyl ester?
The molecular weight of N-Butyloxycarbonyl-phenylalanyl-dehydroleucyl-valine methyl ester is 489.28 g/mol.
Where can I buy N-Butyloxycarbonyl-phenylalanyl-dehydroleucyl-valine methyl ester?
You can request a quote for N-Butyloxycarbonyl-phenylalanyl-dehydroleucyl-valine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyloxycarbonyl-phenylalanyl-dehydroleucyl-valine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-Butyloxycarbonyl-phenylalanyl-dehydroleucyl-valine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.