Komaroviquinone
TL;DR: Komaroviquinone (CAS 485835-92-5) is a chemical compound with molecular formula C21H28O5 and molecular weight 360.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9S,11S)-9-hydroxy-5-methoxy-12,12-dimethyl-6-propan-2-yl-16-oxatetracyclo[7.6.1.01,11.03,8]hexadeca-3(8),5-diene-4,7-dione
Also Known As: Komaroviquinone, (+)-komaroviquinone, J1.864.980B, (1S,9S,11S)-9-hydroxy-5-methoxy-12,12-dimethyl-6-propan-2-yl-16-oxatetracyclo[7.6.1.01,11.03,8]hexadeca-3(8),5-diene-4,7-dione, (4aS,10S,11aS)-10-hydroxy-7-methoxy-1,1-dimethyl-8-(propan-2-yl)-1,2,3,4,5,10,11,11a-octahydro-4a,10-epoxydibenzo[a,d][7]annulene-6,9-dione
| Molecular Formula | C21H28O5 |
|---|---|
| Molecular Weight | 360.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.19366 |
| Heavy Atoms | 26 |
| Complexity | 771.0 |
Chemical Identifiers
| CAS Number | 485835-92-5 |
|---|---|
| SMILES | CC(C)C1=C(C(=O)C2=C(C1=O)[C@@]3(C[C@@H]4[C@](C2)(O3)CCCC4(C)C)O)OC |
| InChIKey | DUWHKUPNNGPNFK-ZEWGMFERSA-N |
Product Overview
Komaroviquinone (CAS 485835-92-5), with molecular formula C21H28O5 and molecular weight 360.19 g/mol. IUPAC: (1S,9S,11S)-9-hydroxy-5-methoxy-12,12-dimethyl-6-propan-2-yl-16-oxatetracyclo[7.6.1.01,11.03,8]hexadeca-3(8),5-diene-4,7-dione.
Chemical Property Profile of Komaroviquinone
Property Insights of Komaroviquinone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Komaroviquinone. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Komaroviquinone. Following Lipinski's Rule of Five, Komaroviquinone 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 Komaroviquinone?
The CAS number of Komaroviquinone is 485835-92-5.
What is the molecular formula of Komaroviquinone?
The molecular formula of Komaroviquinone is C21H28O5.
What is the molecular weight of Komaroviquinone?
The molecular weight of Komaroviquinone is 360.19 g/mol.
Where can I buy Komaroviquinone?
You can request a quote for Komaroviquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Komaroviquinone?
Yes, KEHONG BIO provides custom synthesis services for Komaroviquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.