NCIOpen2_007385
TL;DR: NCIOpen2_007385 (CAS 6947-40-6) is a chemical compound with molecular formula C22H34O3 and molecular weight 346.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-7-(2-hydroxyethylidene)-4a,6a-dimethyl-1,2,3,4,4b,6,8,9,10,10a,10b,11,12,12a-tetradecahydrochrysen-5-one
Also Known As: NCIOpen2_007385, 2-hydroxy-7-(2-hydroxyethylidene)-4a,6a-dimethylhexadecahydrochrysen-5(2h)-one, 2-hydroxy-7-(2-hydroxyethylidene)-4a,6a-dimethyl-1,2,3,4,4b,6,8,9,10,10a,10b,11,12,12a-tetradecahydrochrysen-5-one
| Molecular Formula | C22H34O3 |
|---|---|
| Molecular Weight | 346.25 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.2508 |
| Heavy Atoms | 25 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 6947-40-6 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2C(=O)CC4(C3CCCC4=CCO)C)O |
| InChIKey | JTOOMWOXUKJUIP-UHFFFAOYSA-N |
Product Overview
NCIOpen2_007385 (CAS 6947-40-6), with molecular formula C22H34O3 and molecular weight 346.25 g/mol. IUPAC: 2-hydroxy-7-(2-hydroxyethylidene)-4a,6a-dimethyl-1,2,3,4,4b,6,8,9,10,10a,10b,11,12,12a-tetradecahydrochrysen-5-one.
Chemical Property Profile of NCIOpen2_007385
Property Insights of NCIOpen2_007385
The XLogP value of 3.4 indicates that NCIOpen2_007385 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, NCIOpen2_007385 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_007385 has 2 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 NCIOpen2_007385?
The CAS number of NCIOpen2_007385 is 6947-40-6.
What is the molecular formula of NCIOpen2_007385?
The molecular formula of NCIOpen2_007385 is C22H34O3.
What is the molecular weight of NCIOpen2_007385?
The molecular weight of NCIOpen2_007385 is 346.25 g/mol.
Where can I buy NCIOpen2_007385?
You can request a quote for NCIOpen2_007385 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_007385?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_007385 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.