Jacobine
TL;DR: Jacobine (CAS 471-14-7) is a chemical compound with molecular formula C18H25NO6 and molecular weight 351.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3'S,4S,6R,7R,17R)-7-hydroxy-3',6,7-trimethylspiro[2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione
Also Known As: JACOBINE, Jacobine., Jacobine Impurity 1, JACOBINE [IARC], SID:405281143
| Molecular Formula | C18H25NO6 |
|---|---|
| Molecular Weight | 351.17 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 351.16818 |
| Heavy Atoms | 25 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 471-14-7 |
|---|---|
| SMILES | C[C@@H]1C[C@]2([C@@H](O2)C)C(=O)O[C@@H]3CCN4[C@@H]3C(=CC4)COC(=O)[C@]1(C)O |
| InChIKey | IAPHXJRHXBQDQJ-WKMWQDDRSA-N |
Product Overview
Jacobine (CAS 471-14-7), with molecular formula C18H25NO6 and molecular weight 351.17 g/mol. IUPAC: (1R,3'S,4S,6R,7R,17R)-7-hydroxy-3',6,7-trimethylspiro[2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione.
Chemical Property Profile of Jacobine
Property Insights of Jacobine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Jacobine. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Jacobine. Following Lipinski's Rule of Five, Jacobine has 1 hydrogen bond donor(s) and 7 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 Jacobine?
The CAS number of Jacobine is 471-14-7.
What is the molecular formula of Jacobine?
The molecular formula of Jacobine is C18H25NO6.
What is the molecular weight of Jacobine?
The molecular weight of Jacobine is 351.17 g/mol.
Where can I buy Jacobine?
You can request a quote for Jacobine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Jacobine?
Yes, KEHONG BIO provides custom synthesis services for Jacobine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.