CTK5D6721
TL;DR: CTK5D6721 (CAS 72727-71-0) is a chemical compound with molecular formula C19H32O3 and molecular weight 308.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-hydroxy-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-4-enoate
Also Known As: butyl3-hydroxy-3-methyl-5- pent-4-en-1-oate, 4-Pentenoic acid, 3-hydroxy-3-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, butyl ester, 4-Pentenoic acid,3-hydroxy-3-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, butyl ester, Butyl 3-hydroxy-3-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-4-en-1-oate, butyl 3-hydroxy-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-4-enoate
| Molecular Formula | C19H32O3 |
|---|---|
| Molecular Weight | 308.24 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 308.23514 |
| Heavy Atoms | 22 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 72727-71-0 |
|---|---|
| SMILES | CCCCOC(=O)CC(C)(C=CC1C(=CCCC1(C)C)C)O |
| InChIKey | QRQVLSMUEPAWSS-UHFFFAOYSA-N |
Product Overview
CTK5D6721 (CAS 72727-71-0), with molecular formula C19H32O3 and molecular weight 308.24 g/mol. IUPAC: butyl 3-hydroxy-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-4-enoate.
Chemical Property Profile of CTK5D6721
Property Insights of CTK5D6721
The XLogP value of 3.9 indicates that CTK5D6721 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, CTK5D6721 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK5D6721 has 1 hydrogen bond donor(s) and 3 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 CTK5D6721?
The CAS number of CTK5D6721 is 72727-71-0.
What is the molecular formula of CTK5D6721?
The molecular formula of CTK5D6721 is C19H32O3.
What is the molecular weight of CTK5D6721?
The molecular weight of CTK5D6721 is 308.24 g/mol.
Where can I buy CTK5D6721?
You can request a quote for CTK5D6721 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5D6721?
Yes, KEHONG BIO provides custom synthesis services for CTK5D6721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.