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Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate
TL;DR: Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate (CAS 4864-38-4) 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-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate
Also Known As: Z-ALA-VAL-OME, Z-L-Ala-L-Val-OMe, methyl N-[(benzyloxy)carbonyl]alanylvalinate, BIM-0049362.P001, methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate
| Molecular Formula | C17H24N2O5 |
|---|---|
| Molecular Weight | 336.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 336.16852 |
| Heavy Atoms | 24 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 4864-38-4 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | FZQUEJVAHBIFMS-UHFFFAOYSA-N |
Product Overview
Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate (CAS 4864-38-4), with molecular formula C17H24N2O5 and molecular weight 336.17 g/mol. IUPAC: methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate.
Chemical Property Profile of Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate
Property Insights of Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate. Following Lipinski's Rule of Five, Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate 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 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate?
The CAS number of Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate is 4864-38-4.
What is the molecular formula of Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate?
The molecular formula of Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate is C17H24N2O5.
What is the molecular weight of Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate?
The molecular weight of Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate is 336.17 g/mol.
Where can I buy Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate?
You can request a quote for Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.