Retrorsine, hydrochloride
TL;DR: Retrorsine, hydrochloride (CAS 36168-23-7) 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.
(1R,4E,6R,7S,17R)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione;hydrochloride
Also Known As: Retrorsine, hydrochloride, retrorsine hydrochloride, 12,18-Dihydroxysenecionan-11,16-dione hydrochloride, Senecionan-11,16-dione, 12,18-dihydroxy-, hydrochloride, RefChem:1098025
| Molecular Formula | C18H26ClNO6 |
|---|---|
| Molecular Weight | 387.14 g/mol |
| LogP | 0.587 |
| 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 | 633.17084 |
Chemical Identifiers
| CAS Number | 36168-23-7 |
|---|---|
| SMILES | C/C=C/1\C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(CO)O)C.Cl |
Product Overview
Retrorsine, hydrochloride (CAS 36168-23-7), with molecular formula C18H26ClNO6 and molecular weight 387.14 g/mol. IUPAC: (1R,4E,6R,7S,17R)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione;hydrochloride.
Chemical Property Profile of Retrorsine, hydrochloride
Property Insights of Retrorsine, hydrochloride
The XLogP value of 0.587 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Retrorsine, hydrochloride. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Retrorsine, hydrochloride. Following Lipinski's Rule of Five, Retrorsine, hydrochloride 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 Retrorsine, hydrochloride?
The CAS number of Retrorsine, hydrochloride is 36168-23-7.
What is the molecular formula of Retrorsine, hydrochloride?
The molecular formula of Retrorsine, hydrochloride is C18H26ClNO6.
What is the molecular weight of Retrorsine, hydrochloride?
The molecular weight of Retrorsine, hydrochloride is 387.14 g/mol.
Where can I buy Retrorsine, hydrochloride?
You can request a quote for Retrorsine, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Retrorsine, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Retrorsine, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.