Nauclecosidine
TL;DR: Nauclecosidine (CAS 121880-13-5) is a chemical compound with molecular formula C25H26N2O9 and molecular weight 498.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-14-hydroxy-19-methyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,14,18,20-heptaen-16-one
Also Known As: Nauclecosidine, (1S)-14-hydroxy-19-methyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,14,18,20-heptaen-16-one, 19-Hydroxy-16-methyl-21-oxo-14,15,16,17,19,20-hexadehydro-18-oxayohimban-17-yl beta-D-glucopyranoside, 5H-Indolo(2,3-a)pyrano(3,4-g)quinolizin-5-one, 2-(beta-D-glucopyranosyloxy)-7,8,13,13b-tetrahydro-4-hydroxy-1-methyl-, (S)-
| Molecular Formula | C25H26N2O9 |
|---|---|
| Molecular Weight | 498.16 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.16382 |
| Heavy Atoms | 36 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 121880-13-5 |
|---|---|
| SMILES | CC1=C(OC(=O)C2=C(N3CCC4=C([C@@H]3C=C12)NC5=CC=CC=C45)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O |
| InChIKey | JQAWQLJCHXZJON-OUCBCNBBSA-N |
Product Overview
Nauclecosidine (CAS 121880-13-5), with molecular formula C25H26N2O9 and molecular weight 498.16 g/mol. IUPAC: (1S)-14-hydroxy-19-methyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,14,18,20-heptaen-16-one.
Chemical Property Profile of Nauclecosidine
Property Insights of Nauclecosidine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nauclecosidine. The TPSA of 165.0 Ų indicates high polarity, suggesting Nauclecosidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nauclecosidine has 6 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 Nauclecosidine?
The CAS number of Nauclecosidine is 121880-13-5.
What is the molecular formula of Nauclecosidine?
The molecular formula of Nauclecosidine is C25H26N2O9.
What is the molecular weight of Nauclecosidine?
The molecular weight of Nauclecosidine is 498.16 g/mol.
Where can I buy Nauclecosidine?
You can request a quote for Nauclecosidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nauclecosidine?
Yes, KEHONG BIO provides custom synthesis services for Nauclecosidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.