Crotocin
TL;DR: Crotocin (CAS 21284-11-7) is a chemical compound with molecular formula C19H24O5 and molecular weight 332.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,2,6-trimethylspiro[4,9-dioxatetracyclo[8.2.1.02,8.03,5]tridec-6-ene-13,2'-oxirane]-12-yl) but-2-enoate
Also Known As: Crotocin
| Molecular Formula | C19H24O5 |
|---|---|
| Molecular Weight | 332.16 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 60.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.16238 |
| Heavy Atoms | 24 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 21284-11-7 |
|---|---|
| SMILES | CC=CC(=O)OC1CC2C3(C1(C4(C(O2)C=C(C5C4O5)C)C)C)CO3 |
| InChIKey | LAQCZBYXNRANFU-UHFFFAOYSA-N |
Product Overview
Crotocin (CAS 21284-11-7), with molecular formula C19H24O5 and molecular weight 332.16 g/mol. IUPAC: (1,2,6-trimethylspiro[4,9-dioxatetracyclo[8.2.1.02,8.03,5]tridec-6-ene-13,2'-oxirane]-12-yl) but-2-enoate.
Chemical Property Profile of Crotocin
Property Insights of Crotocin
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crotocin. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Crotocin. Following Lipinski's Rule of Five, Crotocin 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 Crotocin?
The CAS number of Crotocin is 21284-11-7.
What is the molecular formula of Crotocin?
The molecular formula of Crotocin is C19H24O5.
What is the molecular weight of Crotocin?
The molecular weight of Crotocin is 332.16 g/mol.
Where can I buy Crotocin?
You can request a quote for Crotocin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotocin?
Yes, KEHONG BIO provides custom synthesis services for Crotocin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.