Benzoylhypaconine
TL;DR: Benzoylhypaconine (CAS 63238-66-4) is a chemical compound with molecular formula C31H43NO9 and molecular weight 573.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4R,5S,6S,7S,8R,13S,16S,17R,18R)-5,7,8-trihydroxy-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: Benzoylhypaconine, Benzoylhypacoitine
| Molecular Formula | C31H43NO9 |
|---|---|
| Molecular Weight | 573.29 g/mol |
| LogP | 0.7164 |
| Topological Polar Surface Area | 127.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 573.29376 |
| Heavy Atoms | 41 |
| Complexity | 1201.2885 |
Chemical Identifiers
| CAS Number | 63238-66-4 |
|---|---|
| SMILES | CN1C[C@@]2(CC[C@@H](C34[C@@H]2[C@H](C(C31)[C@@]5([C@@H]6[C@@H]4C[C@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)O)OC)OC)COC |
Product Overview
Benzoylhypaconine (CAS 63238-66-4), with molecular formula C31H43NO9 and molecular weight 573.29 g/mol. IUPAC: [(2S,3R,4R,5S,6S,7S,8R,13S,16S,17R,18R)-5,7,8-trihydroxy-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 Benzoylhypaconine
Property Insights of Benzoylhypaconine
The XLogP value of 0.7164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoylhypaconine. The TPSA of 127.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoylhypaconine. Following Lipinski's Rule of Five, Benzoylhypaconine has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoylhypaconine?
The CAS number of Benzoylhypaconine is 63238-66-4.
What is the molecular formula of Benzoylhypaconine?
The molecular formula of Benzoylhypaconine is C31H43NO9.
What is the molecular weight of Benzoylhypaconine?
The molecular weight of Benzoylhypaconine is 573.29 g/mol.
Where can I buy Benzoylhypaconine?
You can request a quote for Benzoylhypaconine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoylhypaconine?
Yes, KEHONG BIO provides custom synthesis services for Benzoylhypaconine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.