11,14-Dihydroxyhetisan-2,13-diyl diacetate
TL;DR: 11,14-Dihydroxyhetisan-2,13-diyl diacetate (CAS 1394-48-5) is a chemical compound with molecular formula C24H31NO6 and molecular weight 429.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,9R,11R,17R,19S)-10-acetyloxy-9,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] acetate
Also Known As: Acehytisine, 11,14-Dihydroxyhetisan-2,13-diyl diacetate, J3.746.162H, (9xi,21xi)-11,14-Dihydroxy-2beta,11beta,20xi-hetisan-2,13-diyl diacetate, (3S,5R,9R,11R,17R,19S)-10-(acetyloxy)-9,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl acetate
| Molecular Formula | C24H31NO6 |
|---|---|
| Molecular Weight | 429.22 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.21515 |
| Heavy Atoms | 31 |
| Complexity | 966.0 |
Chemical Identifiers
| CAS Number | 1394-48-5 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@]2(CN3C4[C@H]2C5(C1)C3[C@]6(C([C@H]7[C@H](C5C6(C4)CC7=C)O)OC(=O)C)O)C |
| InChIKey | OGNUSOJAYIHLNS-DVBURBJDSA-N |
Product Overview
11,14-Dihydroxyhetisan-2,13-diyl diacetate (CAS 1394-48-5), with molecular formula C24H31NO6 and molecular weight 429.22 g/mol. IUPAC: [(3S,5R,9R,11R,17R,19S)-10-acetyloxy-9,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] acetate.
Chemical Property Profile of 11,14-Dihydroxyhetisan-2,13-diyl diacetate
Property Insights of 11,14-Dihydroxyhetisan-2,13-diyl diacetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11,14-Dihydroxyhetisan-2,13-diyl diacetate. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 11,14-Dihydroxyhetisan-2,13-diyl diacetate. Following Lipinski's Rule of Five, 11,14-Dihydroxyhetisan-2,13-diyl diacetate has 2 hydrogen bond donor(s) and 7 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 11,14-Dihydroxyhetisan-2,13-diyl diacetate?
The CAS number of 11,14-Dihydroxyhetisan-2,13-diyl diacetate is 1394-48-5.
What is the molecular formula of 11,14-Dihydroxyhetisan-2,13-diyl diacetate?
The molecular formula of 11,14-Dihydroxyhetisan-2,13-diyl diacetate is C24H31NO6.
What is the molecular weight of 11,14-Dihydroxyhetisan-2,13-diyl diacetate?
The molecular weight of 11,14-Dihydroxyhetisan-2,13-diyl diacetate is 429.22 g/mol.
Where can I buy 11,14-Dihydroxyhetisan-2,13-diyl diacetate?
You can request a quote for 11,14-Dihydroxyhetisan-2,13-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11,14-Dihydroxyhetisan-2,13-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 11,14-Dihydroxyhetisan-2,13-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.