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Methyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate
TL;DR: Methyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate (CAS 33857-82-8) is a chemical compound with molecular formula C17H24N2O5 and molecular weight 336.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoate
Also Known As: Methyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate, methyl 2-(3-{[(benzyloxy)carbonyl]amino}propanamido)-3-methylbutanoate, METHYL 3-METHYL-2-(3-PHENYLMETHOXYCARBONYLAMINOPROPANOYLAMINO)BUTANOATE, methyl 3-methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoate
| Molecular Formula | C17H24N2O5 |
|---|---|
| Molecular Weight | 336.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 336.16852 |
| Heavy Atoms | 24 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 33857-82-8 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)NC(=O)CCNC(=O)OCC1=CC=CC=C1 |
| InChIKey | OWOUWTUUBLLFMS-UHFFFAOYSA-N |
Product Overview
Methyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate (CAS 33857-82-8), with molecular formula C17H24N2O5 and molecular weight 336.17 g/mol. IUPAC: methyl 3-methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoate.
Chemical Property Profile of Methyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate
Property Insights of Methyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate. Following Lipinski's Rule of Five, Methyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate 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 N-[(benzyloxy)carbonyl]-beta-alanylvalinate?
The CAS number of Methyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate is 33857-82-8.
What is the molecular formula of Methyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate?
The molecular formula of Methyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate is C17H24N2O5.
What is the molecular weight of Methyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate?
The molecular weight of Methyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate is 336.17 g/mol.
Where can I buy Methyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate?
You can request a quote for Methyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-[(benzyloxy)carbonyl]-beta-alanylvalinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.