3-Methoxybutyl 2-cyanoprop-2-enoate
TL;DR: 3-Methoxybutyl 2-cyanoprop-2-enoate (CAS 37870-87-4) is a chemical compound with molecular formula C9H13NO3 and molecular weight 183.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxybutyl 2-cyanoprop-2-enoate
Also Known As: MBCA, 3-Methoxybutylcyanoacrylate, 3-methoxybutyl 2-cyanoprop-2-enoate, 2-Cyanoacrylic acid 3-methoxybutyl ester
| Molecular Formula | C9H13NO3 |
|---|---|
| Molecular Weight | 183.09 g/mol |
| LogP | 1.03438 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 183.08954 |
| Heavy Atoms | 13 |
| Complexity | 229.50453 |
Chemical Identifiers
| CAS Number | 37870-87-4 |
|---|---|
| SMILES | CC(CCOC(=O)C(=C)C#N)OC |
Product Overview
3-Methoxybutyl 2-cyanoprop-2-enoate (CAS 37870-87-4), with molecular formula C9H13NO3 and molecular weight 183.09 g/mol. IUPAC: 3-methoxybutyl 2-cyanoprop-2-enoate.
Chemical Property Profile of 3-Methoxybutyl 2-cyanoprop-2-enoate
Property Insights of 3-Methoxybutyl 2-cyanoprop-2-enoate
The XLogP value of 1.03438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxybutyl 2-cyanoprop-2-enoate. With a topological polar surface area (TPSA) of 59.32 Ų, 3-Methoxybutyl 2-cyanoprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxybutyl 2-cyanoprop-2-enoate has 0 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 3-Methoxybutyl 2-cyanoprop-2-enoate?
The CAS number of 3-Methoxybutyl 2-cyanoprop-2-enoate is 37870-87-4.
What is the molecular formula of 3-Methoxybutyl 2-cyanoprop-2-enoate?
The molecular formula of 3-Methoxybutyl 2-cyanoprop-2-enoate is C9H13NO3.
What is the molecular weight of 3-Methoxybutyl 2-cyanoprop-2-enoate?
The molecular weight of 3-Methoxybutyl 2-cyanoprop-2-enoate is 183.09 g/mol.
Where can I buy 3-Methoxybutyl 2-cyanoprop-2-enoate?
You can request a quote for 3-Methoxybutyl 2-cyanoprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxybutyl 2-cyanoprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxybutyl 2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.