N-Deacetyllappaconitine
TL;DR: N-Deacetyllappaconitine (CAS 11033-64-0) is a chemical compound with molecular formula C30H42N2O7 and molecular weight 542.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,4S,5R,6S,8S,13S,16S,17S)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-aminobenzoate
Also Known As: Puberanidine, N-Deacetyllappaconitine, Lappaconitine, deacetyl-, 4-Anthraniloyllappaconine, Lappaconine, 4-(2-aminobenzoate)
| Molecular Formula | C30H42N2O7 |
|---|---|
| Molecular Weight | 542.30 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 542.2992 |
| Heavy Atoms | 39 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 11033-64-0 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@@H](C34[C@@H]2CC(C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@]5([C@H]6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7N |
| InChIKey | VSUODASNSRJNCP-WGVBKJPXSA-N |
Product Overview
N-Deacetyllappaconitine (CAS 11033-64-0), with molecular formula C30H42N2O7 and molecular weight 542.30 g/mol. IUPAC: [(2S,3S,4S,5R,6S,8S,13S,16S,17S)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-aminobenzoate.
Chemical Property Profile of N-Deacetyllappaconitine
Property Insights of N-Deacetyllappaconitine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Deacetyllappaconitine. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Deacetyllappaconitine. Following Lipinski's Rule of Five, N-Deacetyllappaconitine has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Deacetyllappaconitine?
The CAS number of N-Deacetyllappaconitine is 11033-64-0.
What is the molecular formula of N-Deacetyllappaconitine?
The molecular formula of N-Deacetyllappaconitine is C30H42N2O7.
What is the molecular weight of N-Deacetyllappaconitine?
The molecular weight of N-Deacetyllappaconitine is 542.30 g/mol.
Where can I buy N-Deacetyllappaconitine?
You can request a quote for N-Deacetyllappaconitine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Deacetyllappaconitine?
Yes, KEHONG BIO provides custom synthesis services for N-Deacetyllappaconitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.