N-butyloxycarbonyl-phenylalanyl--dehydroaminobutyryl-NH-CH3
TL;DR: N-butyloxycarbonyl-phenylalanyl--dehydroaminobutyryl-NH-CH3 (CAS 148914-46-9) is a chemical compound with molecular formula C19H27N3O4 and molecular weight 361.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2S)-1-[[(E)-1-(methylamino)-1-oxobut-2-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Also Known As: N-Bpda, N-Boc-L-phe-dehydro-abu-NH-CH3, N-butyloxycarbonyl-phenylalanyl--dehydroaminobutyryl-NH-CH3, N-Butyloxycarbonyl-phenylalanyl-dehydroaminobutyryl-NH-CH3, tert-butyl N-[(2S)-1-[[(E)-1-(methylamino)-1-oxobut-2-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
| Molecular Formula | C19H27N3O4 |
|---|---|
| Molecular Weight | 361.20 g/mol |
| LogP | 1.8884 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.20016 |
| Heavy Atoms | 26 |
| Complexity | 663.1119 |
Chemical Identifiers
| CAS Number | 148914-46-9 |
|---|---|
| SMILES | C/C=C(\C(=O)NC)/NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C |
Product Overview
N-butyloxycarbonyl-phenylalanyl--dehydroaminobutyryl-NH-CH3 (CAS 148914-46-9), with molecular formula C19H27N3O4 and molecular weight 361.20 g/mol. IUPAC: tert-butyl N-[(2S)-1-[[(E)-1-(methylamino)-1-oxobut-2-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate.
Chemical Property Profile of N-butyloxycarbonyl-phenylalanyl--dehydroaminobutyryl-NH-CH3
Property Insights of N-butyloxycarbonyl-phenylalanyl--dehydroaminobutyryl-NH-CH3
The XLogP value of 1.8884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyloxycarbonyl-phenylalanyl--dehydroaminobutyryl-NH-CH3. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyloxycarbonyl-phenylalanyl--dehydroaminobutyryl-NH-CH3. Following Lipinski's Rule of Five, N-butyloxycarbonyl-phenylalanyl--dehydroaminobutyryl-NH-CH3 has 3 hydrogen bond donor(s) and 4 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--dehydroaminobutyryl-NH-CH3?
The CAS number of N-butyloxycarbonyl-phenylalanyl--dehydroaminobutyryl-NH-CH3 is 148914-46-9.
What is the molecular formula of N-butyloxycarbonyl-phenylalanyl--dehydroaminobutyryl-NH-CH3?
The molecular formula of N-butyloxycarbonyl-phenylalanyl--dehydroaminobutyryl-NH-CH3 is C19H27N3O4.
What is the molecular weight of N-butyloxycarbonyl-phenylalanyl--dehydroaminobutyryl-NH-CH3?
The molecular weight of N-butyloxycarbonyl-phenylalanyl--dehydroaminobutyryl-NH-CH3 is 361.20 g/mol.
Where can I buy N-butyloxycarbonyl-phenylalanyl--dehydroaminobutyryl-NH-CH3?
You can request a quote for N-butyloxycarbonyl-phenylalanyl--dehydroaminobutyryl-NH-CH3 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--dehydroaminobutyryl-NH-CH3?
Yes, KEHONG BIO provides custom synthesis services for N-butyloxycarbonyl-phenylalanyl--dehydroaminobutyryl-NH-CH3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.