Yuzurimine
TL;DR: Yuzurimine (CAS 17819-76-0) is a chemical compound with molecular formula C27H37NO7 and molecular weight 487.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 17-acetyloxy-18-(acetyloxymethyl)-19-hydroxy-14-methyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icos-7(20)-ene-3-carboxylate
Also Known As: Macrodaphnidin, Yusurimin=Macrodaphnidin, 4H-1,6-Methanopentaleno(1',6':2,3,4)cyclohept(1,2-g)indole-11-carboxylic acid, 5-(acetyloxy)-5a-((acetyloxy)methyl)-2,3,3a,5,5a,6,7,8,9,10,10a,11,12,12b-tetradecahydro-12b-hydroxy-3-methyl-, methyl ester, (1R-(1alpha,3beta,3abeta,5alpha,5abeta,6alpha,10abeta,11alpha,12aR*,12bbeta))-, Methyl 17-acetyloxy-18-(acetyloxymethyl)-19-hydroxy-14-methyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icos-7(20)-ene-3-carboxylate, Methyl 5-(acetyloxy)-5a-[(acetyloxy)methyl]-12b-hydroxy-3-methyl-2,3,3a,5,5a,6,7,8,9,10,10a,11,12,12b-tetradecahydro-4H-1,6-methanocyclopenta[1,8]azuleno[4,3a-g]indole-11-carboxylate
| Molecular Formula | C27H37NO7 |
|---|---|
| Molecular Weight | 487.26 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.257 |
| Heavy Atoms | 35 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 17819-76-0 |
|---|---|
| SMILES | CC1CN2CC3CCC4=C5C(CC4)C(CC56C3(C(CC1C62O)OC(=O)C)COC(=O)C)C(=O)OC |
| InChIKey | PCARXYHNISKVGD-UHFFFAOYSA-N |
Product Overview
Yuzurimine (CAS 17819-76-0), with molecular formula C27H37NO7 and molecular weight 487.26 g/mol. IUPAC: methyl 17-acetyloxy-18-(acetyloxymethyl)-19-hydroxy-14-methyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icos-7(20)-ene-3-carboxylate.
Chemical Property Profile of Yuzurimine
Property Insights of Yuzurimine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Yuzurimine. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Yuzurimine. Following Lipinski's Rule of Five, Yuzurimine has 1 hydrogen bond donor(s) and 8 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 Yuzurimine?
The CAS number of Yuzurimine is 17819-76-0.
What is the molecular formula of Yuzurimine?
The molecular formula of Yuzurimine is C27H37NO7.
What is the molecular weight of Yuzurimine?
The molecular weight of Yuzurimine is 487.26 g/mol.
Where can I buy Yuzurimine?
You can request a quote for Yuzurimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Yuzurimine?
Yes, KEHONG BIO provides custom synthesis services for Yuzurimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.