Tatsiensine
TL;DR: Tatsiensine (CAS 86695-18-3) is a chemical compound with molecular formula C27H39NO7 and molecular weight 489.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docos-17-en-21-yl) acetate
Also Known As: Tatsiensine, (14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docos-17-en-21-yl) acetate, Aconitan-6-ol, 2,3-didehydro-20-ethyl-1,14,16-trimethoxy-4-methyl-7,8-(methylenebis(oxy))-, acetate (ester), (1alpha,6beta,14alpha,16beta)-, (14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo(10.7.2.12,5.01,13.03,8.08,12.016,20)docos-17-en-21-yl) acetate, RefChem:187505
| Molecular Formula | C27H39NO7 |
|---|---|
| Molecular Weight | 489.27 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.27264 |
| Heavy Atoms | 35 |
| Complexity | 973.0 |
Chemical Identifiers
| CAS Number | 86695-18-3 |
|---|---|
| SMILES | CCN1CC2(C=CC(C34C2C(C5(C31)C6(CC(C7CC4C6C7OC)OC)OCO5)OC(=O)C)OC)C |
| InChIKey | AARMMVPNMUKXKI-UHFFFAOYSA-N |
Product Overview
Tatsiensine (CAS 86695-18-3), with molecular formula C27H39NO7 and molecular weight 489.27 g/mol. IUPAC: (14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docos-17-en-21-yl) acetate.
Chemical Property Profile of Tatsiensine
Property Insights of Tatsiensine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tatsiensine. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Tatsiensine. Following Lipinski's Rule of Five, Tatsiensine has 0 hydrogen bond donor(s) and 8 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 Tatsiensine?
The CAS number of Tatsiensine is 86695-18-3.
What is the molecular formula of Tatsiensine?
The molecular formula of Tatsiensine is C27H39NO7.
What is the molecular weight of Tatsiensine?
The molecular weight of Tatsiensine is 489.27 g/mol.
Where can I buy Tatsiensine?
You can request a quote for Tatsiensine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tatsiensine?
Yes, KEHONG BIO provides custom synthesis services for Tatsiensine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.