Sukhodianine acetate
TL;DR: Sukhodianine acetate (CAS 98604-29-6) is a chemical compound with molecular formula C22H23NO6 and molecular weight 397.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(12S,13R)-15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-13-yl] acetate
Also Known As: Sukhodianine acetate, (-)-O-Acetylsukhodianine, (7aS,8R)-9,10-Dimethoxy-7-methyl-6,7,7a,8-tetrahydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-yl acetate, 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-ol, 6,7,7a,8-tetrahydro-9,10-dimethoxy-7-methyl-, acetate (ester), (7aS-trans)-
| Molecular Formula | C22H23NO6 |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.15253 |
| Heavy Atoms | 29 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 98604-29-6 |
|---|---|
| SMILES | CC(=O)O[C@H]1[C@@H]2C3=C(C4=C1C(=C(C=C4)OC)OC)C5=C(C=C3CCN2C)OCO5 |
| InChIKey | WPCZROVYBARYJT-SIKLNZKXSA-N |
Product Overview
Sukhodianine acetate (CAS 98604-29-6), with molecular formula C22H23NO6 and molecular weight 397.15 g/mol. IUPAC: [(12S,13R)-15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-13-yl] acetate.
Chemical Property Profile of Sukhodianine acetate
Property Insights of Sukhodianine acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sukhodianine acetate. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Sukhodianine acetate. Following Lipinski's Rule of Five, Sukhodianine acetate has 0 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 Sukhodianine acetate?
The CAS number of Sukhodianine acetate is 98604-29-6.
What is the molecular formula of Sukhodianine acetate?
The molecular formula of Sukhodianine acetate is C22H23NO6.
What is the molecular weight of Sukhodianine acetate?
The molecular weight of Sukhodianine acetate is 397.15 g/mol.
Where can I buy Sukhodianine acetate?
You can request a quote for Sukhodianine acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sukhodianine acetate?
Yes, KEHONG BIO provides custom synthesis services for Sukhodianine acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.