Benzoylcevadine
TL;DR: Benzoylcevadine (CAS 1301-64-0) is a chemical compound with molecular formula C39H53NO10 and molecular weight 695.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-methyl-3-[3-[[(2S,6S,9S,10S,19S)-1,10,12,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl]oxycarbonyl]phenyl]but-2-enoic acid
Also Known As: Benzoylcevadine, Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, monobenzoate (ester) 3-(2-methyl-2-butenoate), 4,9-Epoxycevane-3,4,12,14,16,17,20-heptol monobenzoate (ester) 3-(2-methyl-2-butenoate), Cevane-3.beta.,4.beta.,12,14,16.beta.,17,20-heptol, 4,9-epoxy-, benzoate (ester), 3-(2-methylcrotonate), RefChem:1081388
| Molecular Formula | C39H53NO10 |
|---|---|
| Molecular Weight | 695.37 g/mol |
| LogP | 3.1019 |
| Topological Polar Surface Area | 177.22 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 695.36694 |
| Heavy Atoms | 50 |
| Complexity | 1660.2026 |
Chemical Identifiers
| CAS Number | 1301-64-0 |
|---|---|
| SMILES | C[C@H]1CC[C@H]2[C@@](C3[C@@H](CN2C1)C4(CC56C(C4(CC3O)O)CCC7[C@@]5(CCC(C7(O6)O)OC(=O)C8=CC=CC(=C8)/C(=C(\C)/C(=O)O)/C)C)O)(C)O |
Product Overview
Benzoylcevadine (CAS 1301-64-0), with molecular formula C39H53NO10 and molecular weight 695.37 g/mol. IUPAC: (E)-2-methyl-3-[3-[[(2S,6S,9S,10S,19S)-1,10,12,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl]oxycarbonyl]phenyl]but-2-enoic acid.
Chemical Property Profile of Benzoylcevadine
Property Insights of Benzoylcevadine
The XLogP value of 3.1019 indicates that Benzoylcevadine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.22 Ų indicates high polarity, suggesting Benzoylcevadine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoylcevadine has 6 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 Benzoylcevadine?
The CAS number of Benzoylcevadine is 1301-64-0.
What is the molecular formula of Benzoylcevadine?
The molecular formula of Benzoylcevadine is C39H53NO10.
What is the molecular weight of Benzoylcevadine?
The molecular weight of Benzoylcevadine is 695.37 g/mol.
Where can I buy Benzoylcevadine?
You can request a quote for Benzoylcevadine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoylcevadine?
Yes, KEHONG BIO provides custom synthesis services for Benzoylcevadine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.