Nogalarene
TL;DR: Nogalarene (CAS 1212-07-3) is a chemical compound with molecular formula C29H27NO10 and molecular weight 549.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,21R,22S,23R,24R)-23-(dimethylamino)-4,8,22,24-tetrahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,10,12,14,18-octaene-13-carboxylate
Also Known As: Nogalarene, GLYCYRRHIZICACIDMONOSODIUMSALT, (2R)-4alpha-(Dimethylamino)-3,4,5,6,9,16-hexahydro-3beta,5beta,8,10-tetrahydroxy-6,13-dimethyl-9,16-dioxo-2alpha,6, 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 4-(dimethylamino)-3,4,5,6,9,16-hexahydro-3,5,8,10-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2-alpha,3-beta,4-alpha,5-beta,6-alpha)-, methyl (1R,21R,22S,23R,24R)-23-(dimethylamino)-4,8,22,24-tetrahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,10,12,14,18-octaene-13-carboxylate
| Molecular Formula | C29H27NO10 |
|---|---|
| Molecular Weight | 549.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 549.1635 |
| Heavy Atoms | 40 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 1212-07-3 |
|---|---|
| SMILES | CC1=C(C2=CC3=C(C(=C2C=C1)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)OC |
| InChIKey | ZIOYGSZIUMVQSO-CWOXXLDKSA-N |
Product Overview
Nogalarene (CAS 1212-07-3), with molecular formula C29H27NO10 and molecular weight 549.16 g/mol. IUPAC: methyl (1R,21R,22S,23R,24R)-23-(dimethylamino)-4,8,22,24-tetrahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,10,12,14,18-octaene-13-carboxylate.
Chemical Property Profile of Nogalarene
Property Insights of Nogalarene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nogalarene. The TPSA of 163.0 Ų indicates high polarity, suggesting Nogalarene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nogalarene has 4 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 Nogalarene?
The CAS number of Nogalarene is 1212-07-3.
What is the molecular formula of Nogalarene?
The molecular formula of Nogalarene is C29H27NO10.
What is the molecular weight of Nogalarene?
The molecular weight of Nogalarene is 549.16 g/mol.
Where can I buy Nogalarene?
You can request a quote for Nogalarene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nogalarene?
Yes, KEHONG BIO provides custom synthesis services for Nogalarene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.