7-Deoxynogarol
TL;DR: 7-Deoxynogarol (CAS 71582-53-1) is a chemical compound with molecular formula C27H29NO9 and molecular weight 511.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
23-(dimethylamino)-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-Deoxynogarol, NOGAROL,7-DEOXY, U-56468, U-58131, 4-(dimethylamino)-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 | C27H29NO9 |
|---|---|
| Molecular Weight | 511.18 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 511.18423 |
| Heavy Atoms | 37 |
| Complexity | 976.0 |
Chemical Identifiers
| CAS Number | 71582-53-1 |
|---|---|
| SMILES | CC1(CCC2=C(C3=C(C=C2C1)C(=O)C4=C5C(=CC(=C4C3=O)O)C6(C(C(C(C(O5)O6)O)N(C)C)O)C)O)O |
| InChIKey | OTDXULFSLVOPKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Deoxynogarol (CAS 71582-53-1), with molecular formula C27H29NO9 and molecular weight 511.18 g/mol. IUPAC: 23-(dimethylamino)-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-Deoxynogarol
Property Insights of 7-Deoxynogarol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Deoxynogarol. The TPSA of 157.0 Ų indicates high polarity, suggesting 7-Deoxynogarol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Deoxynogarol has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Deoxynogarol?
The CAS number of 7-Deoxynogarol is 71582-53-1.
What is the molecular formula of 7-Deoxynogarol?
The molecular formula of 7-Deoxynogarol is C27H29NO9.
What is the molecular weight of 7-Deoxynogarol?
The molecular weight of 7-Deoxynogarol is 511.18 g/mol.
Where can I buy 7-Deoxynogarol?
You can request a quote for 7-Deoxynogarol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Deoxynogarol?
Yes, KEHONG BIO provides custom synthesis services for 7-Deoxynogarol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.