Naphthocyanidine
TL;DR: Naphthocyanidine (CAS 82475-12-5) is a chemical compound with molecular formula C21H24N4O5 and molecular weight 412.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-hydroxy-16-(hydroxymethyl)-12,20-dimethyl-13,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),11-diene-21-carbonitrile
Also Known As: Naphthocyanidine, 11-hydroxy-16-(hydroxymethyl)-12,20-dimethyl-13,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),11-diene-21-carbonitrile, 4,6-Methano-5H-benz(h)oxazolo(3,2-a)pyrazino(3,2,1-de)(1,5)naphthyridine-7-carbonitrile, 1,2,3a,4,4a,6,7,9,10,13,13b,13c-dodecahydro-11-hydroxy-9-(hydroxymethyl)-5,12-dimethyl-10,13-dioxo-, 4,6-Methano-5H-benz(h)oxazolo(3,2-a)pyrazino(3,2,1-de)(1,5)naphthyridine-7-carbonitrile, 1,2,3a,4,4a,6,7,9,10,13,13b,13c-dodecahydro-5,12-dimethyl-10,13-dioxo-11-hydroxy-9-(hydroxymethyl)-, 1,2,3a,4,4a,6,7,9,10,13,13b,13c-Dodecahydro-11-hydroxy-9-(hydroxymethyl)-5,12-dimethyl-10,13-dioxo-4,6-methano-5H-benz[h]oxazolo[3,2-a]pyrazino[3,2,1-de][1,5]naphthyridine-7-carbonitrile
| Molecular Formula | C21H24N4O5 |
|---|---|
| Molecular Weight | 412.17 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 412.17468 |
| Heavy Atoms | 30 |
| Complexity | 995.0 |
Chemical Identifiers
| CAS Number | 82475-12-5 |
|---|---|
| SMILES | CC1=C(C2=C(C(N3C(C4CC5C(C3C2N6C5OCC6)N4C)C#N)CO)C(=O)C1=O)O |
| InChIKey | PZYXVNVEFYXAKL-UHFFFAOYSA-N |
Product Overview
Naphthocyanidine (CAS 82475-12-5), with molecular formula C21H24N4O5 and molecular weight 412.17 g/mol. IUPAC: 11-hydroxy-16-(hydroxymethyl)-12,20-dimethyl-13,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),11-diene-21-carbonitrile.
Chemical Property Profile of Naphthocyanidine
Property Insights of Naphthocyanidine
The XLogP value of -1.7 indicates that Naphthocyanidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Naphthocyanidine. Following Lipinski's Rule of Five, Naphthocyanidine has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Naphthocyanidine?
The CAS number of Naphthocyanidine is 82475-12-5.
What is the molecular formula of Naphthocyanidine?
The molecular formula of Naphthocyanidine is C21H24N4O5.
What is the molecular weight of Naphthocyanidine?
The molecular weight of Naphthocyanidine is 412.17 g/mol.
Where can I buy Naphthocyanidine?
You can request a quote for Naphthocyanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthocyanidine?
Yes, KEHONG BIO provides custom synthesis services for Naphthocyanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.