Kauranone deriv
TL;DR: Kauranone deriv (CAS 61102-55-4) is a chemical compound with molecular formula C22H34O6S and molecular weight 426.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(ethylsulfanylmethyl)-9,10,15,18-tetrahydroxy-12,12-dimethyl-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
Also Known As: KAURANONE DERIV, 17-(Ethylsulfanyl)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one
| Molecular Formula | C22H34O6S |
|---|---|
| Molecular Weight | 426.21 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.2076 |
| Heavy Atoms | 29 |
| Complexity | 728.0 |
Chemical Identifiers
| CAS Number | 61102-55-4 |
|---|---|
| SMILES | CCSCC1C2CCC3C45COC(C3(C2O)C1=O)(C(C4C(CCC5O)(C)C)O)O |
| InChIKey | RIWWYPPCBAITIK-UHFFFAOYSA-N |
Product Overview
Kauranone deriv (CAS 61102-55-4), with molecular formula C22H34O6S and molecular weight 426.21 g/mol. IUPAC: 6-(ethylsulfanylmethyl)-9,10,15,18-tetrahydroxy-12,12-dimethyl-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one.
Chemical Property Profile of Kauranone deriv
Property Insights of Kauranone deriv
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Kauranone deriv. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Kauranone deriv. Following Lipinski's Rule of Five, Kauranone deriv has 4 hydrogen bond donor(s) and 7 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 Kauranone deriv?
The CAS number of Kauranone deriv is 61102-55-4.
What is the molecular formula of Kauranone deriv?
The molecular formula of Kauranone deriv is C22H34O6S.
What is the molecular weight of Kauranone deriv?
The molecular weight of Kauranone deriv is 426.21 g/mol.
Where can I buy Kauranone deriv?
You can request a quote for Kauranone deriv directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kauranone deriv?
Yes, KEHONG BIO provides custom synthesis services for Kauranone deriv and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.