Allyl crotonate
TL;DR: Allyl crotonate (CAS 23509-69-5) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl (E)-but-2-enoate
Also Known As: Allyl crotonate, allyl but-2-enoate, Allyl 2-butenoate, Crotonic acid, allyl ester, allylbut-2-enoate
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 1.2917 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 124.87784 |
Chemical Identifiers
| CAS Number | 23509-69-5 |
|---|---|
| SMILES | C/C=C/C(=O)OCC=C |
Product Overview
Allyl crotonate (CAS 23509-69-5), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: prop-2-enyl (E)-but-2-enoate.
Chemical Property Profile of Allyl crotonate
Property Insights of Allyl crotonate
The XLogP value of 1.2917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl crotonate. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl crotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl crotonate has 0 hydrogen bond donor(s) and 2 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 Allyl crotonate?
The CAS number of Allyl crotonate is 23509-69-5.
What is the molecular formula of Allyl crotonate?
The molecular formula of Allyl crotonate is C7H10O2.
What is the molecular weight of Allyl crotonate?
The molecular weight of Allyl crotonate is 126.07 g/mol.
Where can I buy Allyl crotonate?
You can request a quote for Allyl crotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl crotonate?
Yes, KEHONG BIO provides custom synthesis services for Allyl crotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.