7-Dis-O-ethylnogarol
TL;DR: 7-Dis-O-ethylnogarol (CAS 71582-50-8) is a chemical compound with molecular formula C29H33NO10 and molecular weight 555.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,10S,12S,21R,22S,23S,24R)-23-(dimethylamino)-10-ethoxy-4,8,12,22,24-pentahydroxy-1,12-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-6,17-dione
Also Known As: 7-Dis-O-ethylnogarol, 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-9,16-dione, 4-(dimethylamino)-11-ethoxy-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-, (2R-(2alpha,3beta,4alpha,5beta,6alpha,11beta,13alpha))-, (2R,3S,4S,5R,6S,11S,13S)-4-(dimethylamino)-11-ethoxy-3,5,8,10,13-pentahydroxy-6,13-dimethyl-3,4,5,6,11,12,13,14-octahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-9,16-dione, 4-(Dimethylamino)-11-ethoxy-3,5,8,10,13-pentahydroxy-6,13-dimethyl-3,4,5,6,11,12,13,14-octahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-9,16-dione
| Molecular Formula | C29H33NO10 |
|---|---|
| Molecular Weight | 555.21 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 555.21045 |
| Heavy Atoms | 40 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 71582-50-8 |
|---|---|
| SMILES | CCO[C@H]1C[C@@](CC2=CC3=C(C(=C12)O)C(=O)C4=C(C=C5C(=C4C3=O)O[C@H]6[C@H]([C@H]([C@H]([C@]5(O6)C)O)N(C)C)O)O)(C)O |
| InChIKey | HPJSXLNFVGCNSQ-RDCMDHSESA-N |
Product Overview
7-Dis-O-ethylnogarol (CAS 71582-50-8), with molecular formula C29H33NO10 and molecular weight 555.21 g/mol. IUPAC: (1S,10S,12S,21R,22S,23S,24R)-23-(dimethylamino)-10-ethoxy-4,8,12,22,24-pentahydroxy-1,12-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-6,17-dione.
Chemical Property Profile of 7-Dis-O-ethylnogarol
Property Insights of 7-Dis-O-ethylnogarol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Dis-O-ethylnogarol. The TPSA of 166.0 Ų indicates high polarity, suggesting 7-Dis-O-ethylnogarol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Dis-O-ethylnogarol has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Dis-O-ethylnogarol?
The CAS number of 7-Dis-O-ethylnogarol is 71582-50-8.
What is the molecular formula of 7-Dis-O-ethylnogarol?
The molecular formula of 7-Dis-O-ethylnogarol is C29H33NO10.
What is the molecular weight of 7-Dis-O-ethylnogarol?
The molecular weight of 7-Dis-O-ethylnogarol is 555.21 g/mol.
Where can I buy 7-Dis-O-ethylnogarol?
You can request a quote for 7-Dis-O-ethylnogarol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Dis-O-ethylnogarol?
Yes, KEHONG BIO provides custom synthesis services for 7-Dis-O-ethylnogarol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.