(-)-Isodocarpin
TL;DR: (-)-Isodocarpin (CAS 112764-14-4) is a chemical compound with molecular formula C20H26O5 and molecular weight 346.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-hydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
Also Known As: Macrocalin A, (-)-Isodocarpin, 7H-5a,8-Methano-11H-cyclohepta[c]furo[3,4-e][1]benzopyran-5,6-dione,decahydro-13-hydroxy-1,1-dimethyl-7-methylene-,(3aS,5aS,8R,10aS,10bS,13R,13aR)-, 13-hydroxy-1,1-dimethyl-7-methylidenedecahydro-5a,8-methanocyclohepta[c]furo[3,4-e]chromene-5,6(7h)-dione, 9-Hydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
| Molecular Formula | C20H26O5 |
|---|---|
| Molecular Weight | 346.18 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 346.178 |
| Heavy Atoms | 25 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 112764-14-4 |
|---|---|
| SMILES | CC1(CCC2C3(C1C(OC3)O)C4CCC5CC4(C(=O)C5=C)C(=O)O2)C |
| InChIKey | QOAOBBJDPFYUKJ-UHFFFAOYSA-N |
Product Overview
(-)-Isodocarpin (CAS 112764-14-4), with molecular formula C20H26O5 and molecular weight 346.18 g/mol. IUPAC: 9-hydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione.
Chemical Property Profile of (-)-Isodocarpin
Property Insights of (-)-Isodocarpin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (-)-Isodocarpin. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (-)-Isodocarpin. Following Lipinski's Rule of Five, (-)-Isodocarpin has 1 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 (-)-Isodocarpin?
The CAS number of (-)-Isodocarpin is 112764-14-4.
What is the molecular formula of (-)-Isodocarpin?
The molecular formula of (-)-Isodocarpin is C20H26O5.
What is the molecular weight of (-)-Isodocarpin?
The molecular weight of (-)-Isodocarpin is 346.18 g/mol.
Where can I buy (-)-Isodocarpin?
You can request a quote for (-)-Isodocarpin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-Isodocarpin?
Yes, KEHONG BIO provides custom synthesis services for (-)-Isodocarpin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.