4-Oxopent-2-en-2-yl borodifluoridate
TL;DR: 4-Oxopent-2-en-2-yl borodifluoridate (CAS 42498-48-6) is a chemical compound with molecular formula C5H7BF2O2 and molecular weight 148.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-difluoroboranyloxypent-3-en-2-one
Also Known As: NCIOpen2_002225, 4-difluoroboranyloxypent-3-en-2-one, 4-oxopent-2-en-2-yl borodifluoridate, (E)-4-difluoroboranyloxypent-3-en-2-one, (Z)-4-difluoroboranyloxy-pent-3-en-2-one
| Molecular Formula | C5H7BF2O2 |
|---|---|
| Molecular Weight | 148.05 g/mol |
| LogP | 1.4197 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.05072 |
| Heavy Atoms | 10 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 42498-48-6 |
|---|---|
| SMILES | B(OC(=CC(=O)C)C)(F)F |
| InChIKey | JSEBPAAFVDAAAI-UHFFFAOYSA-N |
Product Overview
4-Oxopent-2-en-2-yl borodifluoridate (CAS 42498-48-6), with molecular formula C5H7BF2O2 and molecular weight 148.05 g/mol. IUPAC: 4-difluoroboranyloxypent-3-en-2-one.
Chemical Property Profile of 4-Oxopent-2-en-2-yl borodifluoridate
Property Insights of 4-Oxopent-2-en-2-yl borodifluoridate
The XLogP value of 1.4197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxopent-2-en-2-yl borodifluoridate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Oxopent-2-en-2-yl borodifluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxopent-2-en-2-yl borodifluoridate 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 4-Oxopent-2-en-2-yl borodifluoridate?
The CAS number of 4-Oxopent-2-en-2-yl borodifluoridate is 42498-48-6.
What is the molecular formula of 4-Oxopent-2-en-2-yl borodifluoridate?
The molecular formula of 4-Oxopent-2-en-2-yl borodifluoridate is C5H7BF2O2.
What is the molecular weight of 4-Oxopent-2-en-2-yl borodifluoridate?
The molecular weight of 4-Oxopent-2-en-2-yl borodifluoridate is 148.05 g/mol.
Where can I buy 4-Oxopent-2-en-2-yl borodifluoridate?
You can request a quote for 4-Oxopent-2-en-2-yl borodifluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxopent-2-en-2-yl borodifluoridate?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxopent-2-en-2-yl borodifluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.