N-Demethylmenogaril
TL;DR: N-Demethylmenogaril (CAS 86016-61-7) is a chemical compound with molecular formula C27H29NO10 and molecular weight 527.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,10R,12S,21R,22S,23S,24R)-4,8,12,22,24-pentahydroxy-10-methoxy-1,12-dimethyl-23-(methylamino)-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: N-Demethylmenogaril, 7-Con-O-methyl-N-demethylnogarol, KST-1A8605, (2r,3s,4s,5r,6s,11r,13s)-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-4-(methylamino)-3,4,5,6,11,12,13,14-octahydro-2h-2,6-epoxytetraceno[1,2-b]oxocine-9,16-dione, (1S,10R,12S,21R,22S,23S,24R)-4,8,12,22,24-pentahydroxy-10-methoxy-1,12-dimethyl-23-(methylamino)-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
| Molecular Formula | C27H29NO10 |
|---|---|
| Molecular Weight | 527.18 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 527.17914 |
| Heavy Atoms | 38 |
| Complexity | 995.0 |
Chemical Identifiers
| CAS Number | 86016-61-7 |
|---|---|
| SMILES | C[C@]1(C[C@H](C2=C(C3=C(C=C2C1)C(=O)C4=C5C(=CC(=C4C3=O)O)[C@]6([C@@H]([C@@H]([C@@H]([C@H](O5)O6)O)NC)O)C)O)OC)O |
| InChIKey | PPUCUNKHOFYRLN-FJSFXKJISA-N |
Product Overview
N-Demethylmenogaril (CAS 86016-61-7), with molecular formula C27H29NO10 and molecular weight 527.18 g/mol. IUPAC: (1S,10R,12S,21R,22S,23S,24R)-4,8,12,22,24-pentahydroxy-10-methoxy-1,12-dimethyl-23-(methylamino)-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 N-Demethylmenogaril
Property Insights of N-Demethylmenogaril
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Demethylmenogaril. The TPSA of 175.0 Ų indicates high polarity, suggesting N-Demethylmenogaril may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Demethylmenogaril has 6 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 N-Demethylmenogaril?
The CAS number of N-Demethylmenogaril is 86016-61-7.
What is the molecular formula of N-Demethylmenogaril?
The molecular formula of N-Demethylmenogaril is C27H29NO10.
What is the molecular weight of N-Demethylmenogaril?
The molecular weight of N-Demethylmenogaril is 527.18 g/mol.
Where can I buy N-Demethylmenogaril?
You can request a quote for N-Demethylmenogaril directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Demethylmenogaril?
Yes, KEHONG BIO provides custom synthesis services for N-Demethylmenogaril and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.