3-Butenoic acid, (5-fluoro-3-pyridinyl)methyl ester
TL;DR: 3-Butenoic acid, (5-fluoro-3-pyridinyl)methyl ester (CAS 27195-72-8) is a chemical compound with molecular formula C10H10FNO2 and molecular weight 195.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-fluoro-3-pyridinyl)methyl but-3-enoate
Also Known As: (5-fluoropyridin-3-yl)methyl but-3-enoate, (5-Fluoro-3-pyridinyl)methyl 3-butenoate, 3-Butenoic acid, (5-fluoro-3-pyridinyl)methyl ester, 3-Butenoic acid,(5-fluoro-3-pyridinyl)methyl ester, BRN 1531128
| Molecular Formula | C10H10FNO2 |
|---|---|
| Molecular Weight | 195.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 195.06955 |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 27195-72-8 |
|---|---|
| SMILES | C=CCC(=O)OCC1=CC(=CN=C1)F |
| InChIKey | YWAQOJVOUSWXRQ-UHFFFAOYSA-N |
Product Overview
3-Butenoic acid, (5-fluoro-3-pyridinyl)methyl ester (CAS 27195-72-8), with molecular formula C10H10FNO2 and molecular weight 195.07 g/mol. IUPAC: (5-fluoro-3-pyridinyl)methyl but-3-enoate.
Chemical Property Profile of 3-Butenoic acid, (5-fluoro-3-pyridinyl)methyl ester
Property Insights of 3-Butenoic acid, (5-fluoro-3-pyridinyl)methyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butenoic acid, (5-fluoro-3-pyridinyl)methyl ester. With a topological polar surface area (TPSA) of 39.2 Ų, 3-Butenoic acid, (5-fluoro-3-pyridinyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butenoic acid, (5-fluoro-3-pyridinyl)methyl ester 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-Butenoic acid, (5-fluoro-3-pyridinyl)methyl ester?
The CAS number of 3-Butenoic acid, (5-fluoro-3-pyridinyl)methyl ester is 27195-72-8.
What is the molecular formula of 3-Butenoic acid, (5-fluoro-3-pyridinyl)methyl ester?
The molecular formula of 3-Butenoic acid, (5-fluoro-3-pyridinyl)methyl ester is C10H10FNO2.
What is the molecular weight of 3-Butenoic acid, (5-fluoro-3-pyridinyl)methyl ester?
The molecular weight of 3-Butenoic acid, (5-fluoro-3-pyridinyl)methyl ester is 195.07 g/mol.
Where can I buy 3-Butenoic acid, (5-fluoro-3-pyridinyl)methyl ester?
You can request a quote for 3-Butenoic acid, (5-fluoro-3-pyridinyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butenoic acid, (5-fluoro-3-pyridinyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Butenoic acid, (5-fluoro-3-pyridinyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.