Desoxyhemigossypol-6-methyl ether
TL;DR: Desoxyhemigossypol-6-methyl ether (CAS 40817-06-9) is a chemical compound with molecular formula C16H18O3 and molecular weight 258.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-ol
Also Known As: Vergosin, Deoxymethoxyhemigossypol, Desoxyhemigossypol-6-methyl ether, Desoxyhemigossypol 6-methyl ether, isopropyl-methoxy-methyl-[?]ol
| Molecular Formula | C16H18O3 |
|---|---|
| Molecular Weight | 258.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.12558 |
| Heavy Atoms | 19 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 40817-06-9 |
|---|---|
| SMILES | CC1=CC2=C3C(=C(C(=C2C(C)C)OC)O)COC3=C1 |
| InChIKey | ZMCDJIAUWJBTEN-UHFFFAOYSA-N |
Product Overview
Desoxyhemigossypol-6-methyl ether (CAS 40817-06-9), with molecular formula C16H18O3 and molecular weight 258.13 g/mol. IUPAC: 6-methoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-ol.
Chemical Property Profile of Desoxyhemigossypol-6-methyl ether
Property Insights of Desoxyhemigossypol-6-methyl ether
The XLogP value of 3.8 indicates that Desoxyhemigossypol-6-methyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, Desoxyhemigossypol-6-methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Desoxyhemigossypol-6-methyl ether 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 Desoxyhemigossypol-6-methyl ether?
The CAS number of Desoxyhemigossypol-6-methyl ether is 40817-06-9.
What is the molecular formula of Desoxyhemigossypol-6-methyl ether?
The molecular formula of Desoxyhemigossypol-6-methyl ether is C16H18O3.
What is the molecular weight of Desoxyhemigossypol-6-methyl ether?
The molecular weight of Desoxyhemigossypol-6-methyl ether is 258.13 g/mol.
Where can I buy Desoxyhemigossypol-6-methyl ether?
You can request a quote for Desoxyhemigossypol-6-methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desoxyhemigossypol-6-methyl ether?
Yes, KEHONG BIO provides custom synthesis services for Desoxyhemigossypol-6-methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.