retroisosenine
TL;DR: retroisosenine (CAS 6687-87-2) is a chemical compound with molecular formula C18H25NO5 and molecular weight 335.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,5R,7R,8R,18R)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadec-12-ene-3,9-dione
Also Known As: retroisosenine, KST-1A7355, (4r,6r,7r,15ar,15br)-4,6,7-trimethyl-4,5,6,7,10,12,14,15,15a,15b-decahydro-2h-4,7-epoxy[1,6]dioxacyclotridecino[2,3,4-gh]pyrrolizine-2,8(3h)-dione, (1~1~R,1~7a~R,5~2~R,5~4~R,5~5~R)-5~2~,5~4~,5~5~-Trimethyl-1~2~,1~3~,1~5~,1~7a~-tetrahydro-1~1~H-2,7-dioxa-1(1,7)-pyrrolizina-5(2,5)-oxolanacyclooctaphane-3,6-dione, 4,6,7-Trimethyl-4,5,6,7,10,12,14,15,15a,15b-decahydro-2H-4,7-epoxy[1,6]dioxacyclotridecino[2,3,4-gh]pyrrolizine-2,8(3H)-dione
| Molecular Formula | C18H25NO5 |
|---|---|
| Molecular Weight | 335.17 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 335.17328 |
| Heavy Atoms | 24 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 6687-87-2 |
|---|---|
| SMILES | C[C@@H]1C[C@@]2(CC(=O)O[C@@H]3CCN4[C@@H]3C(=CC4)COC(=O)[C@@]1(O2)C)C |
| InChIKey | KOYQLXLYMDNSGL-RUUWIURISA-N |
Product Overview
retroisosenine (CAS 6687-87-2), with molecular formula C18H25NO5 and molecular weight 335.17 g/mol. IUPAC: (1R,5R,7R,8R,18R)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadec-12-ene-3,9-dione.
Chemical Property Profile of retroisosenine
Property Insights of retroisosenine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for retroisosenine. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for retroisosenine. Following Lipinski's Rule of Five, retroisosenine has 0 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 retroisosenine?
The CAS number of retroisosenine is 6687-87-2.
What is the molecular formula of retroisosenine?
The molecular formula of retroisosenine is C18H25NO5.
What is the molecular weight of retroisosenine?
The molecular weight of retroisosenine is 335.17 g/mol.
Where can I buy retroisosenine?
You can request a quote for retroisosenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for retroisosenine?
Yes, KEHONG BIO provides custom synthesis services for retroisosenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.