4b,8-dimethyl-2-(propan-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3h-3,10a-epidioxyphenanthrene-8-carboxylic acid
TL;DR: 4b,8-dimethyl-2-(propan-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3h-3,10a-epidioxyphenanthrene-8-carboxylic acid (CAS 5330-24-5) is a chemical compound with molecular formula C20H30O4 and molecular weight 334.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,9-dimethyl-16-propan-2-yl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid
Also Known As: 4b,8-dimethyl-2-(propan-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3h-3,10a-epidioxyphenanthrene-8-carboxylic acid
| Molecular Formula | C20H30O4 |
|---|---|
| Molecular Weight | 334.21 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.21442 |
| Heavy Atoms | 24 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 5330-24-5 |
|---|---|
| SMILES | CC(C)C1=CC23CCC4C(C2CC1OO3)(CCCC4(C)C(=O)O)C |
| InChIKey | IQKPNFFLSFPURG-UHFFFAOYSA-N |
Product Overview
4b,8-dimethyl-2-(propan-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3h-3,10a-epidioxyphenanthrene-8-carboxylic acid (CAS 5330-24-5), with molecular formula C20H30O4 and molecular weight 334.21 g/mol. IUPAC: 5,9-dimethyl-16-propan-2-yl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid.
Chemical Property Profile of 4b,8-dimethyl-2-(propan-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3h-3,10a-epidioxyphenanthrene-8-carboxylic acid
Property Insights of 4b,8-dimethyl-2-(propan-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3h-3,10a-epidioxyphenanthrene-8-carboxylic acid
The XLogP value of 3.8 indicates that 4b,8-dimethyl-2-(propan-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3h-3,10a-epidioxyphenanthrene-8-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 4b,8-dimethyl-2-(propan-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3h-3,10a-epidioxyphenanthrene-8-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4b,8-dimethyl-2-(propan-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3h-3,10a-epidioxyphenanthrene-8-carboxylic acid has 1 hydrogen bond donor(s) and 4 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 4b,8-dimethyl-2-(propan-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3h-3,10a-epidioxyphenanthrene-8-carboxylic acid?
The CAS number of 4b,8-dimethyl-2-(propan-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3h-3,10a-epidioxyphenanthrene-8-carboxylic acid is 5330-24-5.
What is the molecular formula of 4b,8-dimethyl-2-(propan-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3h-3,10a-epidioxyphenanthrene-8-carboxylic acid?
The molecular formula of 4b,8-dimethyl-2-(propan-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3h-3,10a-epidioxyphenanthrene-8-carboxylic acid is C20H30O4.
What is the molecular weight of 4b,8-dimethyl-2-(propan-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3h-3,10a-epidioxyphenanthrene-8-carboxylic acid?
The molecular weight of 4b,8-dimethyl-2-(propan-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3h-3,10a-epidioxyphenanthrene-8-carboxylic acid is 334.21 g/mol.
Where can I buy 4b,8-dimethyl-2-(propan-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3h-3,10a-epidioxyphenanthrene-8-carboxylic acid?
You can request a quote for 4b,8-dimethyl-2-(propan-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3h-3,10a-epidioxyphenanthrene-8-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4b,8-dimethyl-2-(propan-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3h-3,10a-epidioxyphenanthrene-8-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4b,8-dimethyl-2-(propan-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3h-3,10a-epidioxyphenanthrene-8-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.