Hypaconitine
TL;DR: Hypaconitine (CAS 6900-87-4) is a chemical compound with molecular formula C33H45NO10 and molecular weight 615.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,5R,8R,10R,17R)-8-acetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Also Known As: Hypaconitine, [(2R,3R,5R,8R,10R,17R)-8-Acetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate, Aconitane-8,13,14,15-tetraol, 16,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate benzoate, (1-alpha,6-alpha,14-alpha,15-alpha,16-beta)-
| Molecular Formula | C33H45NO10 |
|---|---|
| Molecular Weight | 615.30 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 615.3043 |
| Heavy Atoms | 44 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 6900-87-4 |
|---|---|
| SMILES | CC(=O)O[C@@]12[C@@H]3[C@@H](C[C@@](C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56[C@@H]7C(C2[C@H]5N(CC7(CCC6OC)COC)C)OC |
| InChIKey | FIDOCHXHMJHKRW-PYHVONRRSA-N |
Product Overview
Hypaconitine (CAS 6900-87-4), with molecular formula C33H45NO10 and molecular weight 615.30 g/mol. IUPAC: [(2R,3R,5R,8R,10R,17R)-8-acetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate.
Chemical Property Profile of Hypaconitine
Property Insights of Hypaconitine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hypaconitine. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hypaconitine. Following Lipinski's Rule of Five, Hypaconitine has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hypaconitine?
The CAS number of Hypaconitine is 6900-87-4.
What is the molecular formula of Hypaconitine?
The molecular formula of Hypaconitine is C33H45NO10.
What is the molecular weight of Hypaconitine?
The molecular weight of Hypaconitine is 615.30 g/mol.
Where can I buy Hypaconitine?
You can request a quote for Hypaconitine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hypaconitine?
Yes, KEHONG BIO provides custom synthesis services for Hypaconitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.