Dehydroretrorsine
TL;DR: Dehydroretrorsine (CAS 23092-97-9) is a chemical compound with molecular formula C18H23NO6 and molecular weight 349.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4Z,6R,7S)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadeca-11(17),12-diene-3,8-dione
Also Known As: Dehydroretrorsine, Dehydroretrosine, Retrorsine pyrrole, Retrorsine didehydro-, Didehydroretrorsine
| Molecular Formula | C18H23NO6 |
|---|---|
| Molecular Weight | 349.15 g/mol |
| LogP | 1.2288 |
| Topological Polar Surface Area | 97.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 349.15253 |
| Heavy Atoms | 25 |
| Complexity | 721.14856 |
Chemical Identifiers
| CAS Number | 23092-97-9 |
|---|---|
| SMILES | C/C=C\1/C[C@H]([C@@](C(=O)OCC2=C3[C@@H](CCN3C=C2)OC1=O)(CO)O)C |
Product Overview
Dehydroretrorsine (CAS 23092-97-9), with molecular formula C18H23NO6 and molecular weight 349.15 g/mol. IUPAC: (1R,4Z,6R,7S)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadeca-11(17),12-diene-3,8-dione.
Chemical Property Profile of Dehydroretrorsine
Property Insights of Dehydroretrorsine
The XLogP value of 1.2288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dehydroretrorsine. The TPSA of 97.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydroretrorsine. Following Lipinski's Rule of Five, Dehydroretrorsine has 2 hydrogen bond donor(s) and 6 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 Dehydroretrorsine?
The CAS number of Dehydroretrorsine is 23092-97-9.
What is the molecular formula of Dehydroretrorsine?
The molecular formula of Dehydroretrorsine is C18H23NO6.
What is the molecular weight of Dehydroretrorsine?
The molecular weight of Dehydroretrorsine is 349.15 g/mol.
Where can I buy Dehydroretrorsine?
You can request a quote for Dehydroretrorsine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydroretrorsine?
Yes, KEHONG BIO provides custom synthesis services for Dehydroretrorsine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.