7-Ethylrosmanol
TL;DR: 7-Ethylrosmanol (CAS 111200-01-2) is a chemical compound with molecular formula C22H30O5 and molecular weight 374.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethoxy-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
Also Known As: 7-Ethylrosmanol, ethoxy-dihydroxy-isopropyl-dimethyl-[?]one, (1S,8S,9S,10S)-8-ethoxy-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one, 2H-10,4a-(Epoxymethano)phenanthren-12-one, 9-ethoxy-1,3,4,9,10,10a-hexahydro-5,6-dihydroxy-1,1-dimethyl-7-(1-methylethyl)-
| Molecular Formula | C22H30O5 |
|---|---|
| Molecular Weight | 374.21 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.20932 |
| Heavy Atoms | 27 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 111200-01-2 |
|---|---|
| SMILES | CCOC1C2C3C(CCCC3(C4=C(C(=C(C=C14)C(C)C)O)O)C(=O)O2)(C)C |
| InChIKey | HEUIVINVBVPWCU-UHFFFAOYSA-N |
Product Overview
7-Ethylrosmanol (CAS 111200-01-2), with molecular formula C22H30O5 and molecular weight 374.21 g/mol. IUPAC: 8-ethoxy-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one.
Chemical Property Profile of 7-Ethylrosmanol
Property Insights of 7-Ethylrosmanol
The XLogP value of 4.3 indicates that 7-Ethylrosmanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Ethylrosmanol. Following Lipinski's Rule of Five, 7-Ethylrosmanol has 2 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 7-Ethylrosmanol?
The CAS number of 7-Ethylrosmanol is 111200-01-2.
What is the molecular formula of 7-Ethylrosmanol?
The molecular formula of 7-Ethylrosmanol is C22H30O5.
What is the molecular weight of 7-Ethylrosmanol?
The molecular weight of 7-Ethylrosmanol is 374.21 g/mol.
Where can I buy 7-Ethylrosmanol?
You can request a quote for 7-Ethylrosmanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Ethylrosmanol?
Yes, KEHONG BIO provides custom synthesis services for 7-Ethylrosmanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.