methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate
TL;DR: methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate (CAS 907548-13-4) is a chemical compound with molecular formula C11H19NO4 and molecular weight 229.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[cyclopropyl-(3-methoxy-3-oxopropyl)amino]propanoate
Also Known As: methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate, Dimethyl 3,3'-(cyclopropylazanediyl)dipropanoate, methyl 3-[cyclopropyl-(3-methoxy-3-oxopropyl)amino]propanoate, NCI60_022144, J2.535.931C
| Molecular Formula | C11H19NO4 |
|---|---|
| Molecular Weight | 229.13 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 229.13141 |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 907548-13-4 |
|---|---|
| SMILES | COC(=O)CCN(CCC(=O)OC)C1CC1 |
| InChIKey | XPFPGQGFWHRWDG-UHFFFAOYSA-N |
Product Overview
methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate (CAS 907548-13-4), with molecular formula C11H19NO4 and molecular weight 229.13 g/mol. IUPAC: methyl 3-[cyclopropyl-(3-methoxy-3-oxopropyl)amino]propanoate.
Chemical Property Profile of methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate
Property Insights of methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate. With a topological polar surface area (TPSA) of 55.8 Ų, methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate has 0 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-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate?
The CAS number of methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate is 907548-13-4.
What is the molecular formula of methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate?
The molecular formula of methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate is C11H19NO4.
What is the molecular weight of methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate?
The molecular weight of methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate is 229.13 g/mol.
Where can I buy methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate?
You can request a quote for methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.