Jaconine hydrochloride
TL;DR: Jaconine hydrochloride (CAS 7251-11-8) is a chemical compound with molecular formula C18H27Cl2NO6 and molecular weight 423.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4R,6R,7R,17R)-4-(1-chloroethyl)-4,7-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione;hydrochloride
Also Known As: Jaconine hydrochloride, Jaconine HCl, KST-1A0310, 1-chloroethyl-dihydroxy-dimethyl-[?]dione, (15r)-20-chloro-12,15-dihydroxy-15,20-dihydrosenecionan-11,16-dione hydrochloride(1:1)
| Molecular Formula | C18H27Cl2NO6 |
|---|---|
| Molecular Weight | 423.12 g/mol |
| LogP | 1.03 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 423.12155 |
| Heavy Atoms | 27 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 7251-11-8 |
|---|---|
| SMILES | C[C@@H]1C[C@@](C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O)(C(C)Cl)O.Cl |
| InChIKey | AOFLJXYFSXFMOL-MRXAPZQLSA-N |
Product Overview
Jaconine hydrochloride (CAS 7251-11-8), with molecular formula C18H27Cl2NO6 and molecular weight 423.12 g/mol. IUPAC: (1R,4R,6R,7R,17R)-4-(1-chloroethyl)-4,7-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione;hydrochloride.
Chemical Property Profile of Jaconine hydrochloride
Property Insights of Jaconine hydrochloride
The XLogP value of 1.03 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Jaconine hydrochloride. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Jaconine hydrochloride. Following Lipinski's Rule of Five, Jaconine hydrochloride has 3 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 Jaconine hydrochloride?
The CAS number of Jaconine hydrochloride is 7251-11-8.
What is the molecular formula of Jaconine hydrochloride?
The molecular formula of Jaconine hydrochloride is C18H27Cl2NO6.
What is the molecular weight of Jaconine hydrochloride?
The molecular weight of Jaconine hydrochloride is 423.12 g/mol.
Where can I buy Jaconine hydrochloride?
You can request a quote for Jaconine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Jaconine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Jaconine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.