夹可宁
TL;DR: 夹可宁 (CAS 480-75-1) is a chemical compound with molecular formula C18H26ClNO6 and molecular weight 387.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
夹可宁
(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
Also Known As: Jaconine, 4-27-00-06661 (Beilstein Handbook Reference), (15-alpha,20R)-20-Chloro-15,20-dihydro-12,15-dihydroxysenecionan-11,16-dione, (15r)-20-chloro-12,15-dihydroxy-15,20-dihydrosenecionan-11,16-dione, Senecionan-11,16-dione, 20-chloro-15,20-dihydro-12,15-dihydroxy-, (15-alpha,20R)-
| Molecular Formula | C18H26ClNO6 |
|---|---|
| Molecular Weight | 387.14 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 387.14487 |
| Heavy Atoms | 26 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 480-75-1 |
|---|---|
| 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 |
| InChIKey | CKPJPJSVQMEGBC-SQEGYQCZSA-N |
Product Overview
夹可宁 (CAS 480-75-1), with molecular formula C18H26ClNO6 and molecular weight 387.14 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.
Chemical Property Profile of 夹可宁
Property Insights of 夹可宁
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 夹可宁. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 夹可宁. Following Lipinski's Rule of Five, 夹可宁 has 2 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 夹可宁?
The CAS number of 夹可宁 is 480-75-1.
What is the molecular formula of 夹可宁?
The molecular formula of 夹可宁 is C18H26ClNO6.
What is the molecular weight of 夹可宁?
The molecular weight of 夹可宁 is 387.14 g/mol.
Where can I buy 夹可宁?
You can request a quote for 夹可宁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 夹可宁?
Yes, KEHONG BIO provides custom synthesis services for 夹可宁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.