Cyanocycline D
TL;DR: Cyanocycline D (CAS 152104-53-5) is a chemical compound with molecular formula C23H27N5O5 and molecular weight 453.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3R)-5-(2-hydroxyethyl)-13-(hydroxymethyl)-10-methoxy-9,17-dimethyl-8,11-dioxo-5,14,17-triazapentacyclo[12.3.1.03,16.06,15.07,12]octadeca-7(12),9-diene-4,18-dicarbonitrile
Also Known As: Cyanocycline D, (1R,3R)-5-(2-Hydroxyethyl)-13-(hydroxymethyl)-10-methoxy-9,17-dimethyl-8,11-dioxo-5,14,17-triazapentacyclo[12.3.1.03,16.06,15.07,12]octadeca-7(12),9-diene-4,18-dicarbonitrile, (3R,5R)-1-(2-Hydroxyethyl)-8-(hydroxymethyl)-10-methoxy-4,11-dimethyl-9,12-dioxo-2,3,3a,5,6,8,9,12,12b,12c-decahydro-1H,4H-3,5-methanobenzo[c]pyrazino[3,2,1-ij][1,5]naphthyridine-2,6-dicarbonitrile, 1-(2-Hydroxyethyl)-8-(hydroxymethyl)-10-methoxy-4,11-dimethyl-9,12-dioxo-2,3,3a,5,6,8,9,12,12b,12c-decahydro-1H,4H-3,5-methanobenzo[c]pyrazino[3,2,1-ij][1,5]naphthyridine-2,6-dicarbonitrile, 3,5-Methano-1H,4H-benzo(c)pyrazino(3,2,1-ij)(1,5)naphthyridine-2,6-dicarbonitrile, 2,3,3a,5,6,8,9,12,12b,12c-decahydro-1-(2-hydroxyethyl)-8-(hydroxymethyl)-10-methoxy-4,11-dimethyl-9,12-dioxo-, (2R-(2alpha,3beta,3aalpha,5beta,6alpha,8beta,12balpha,12calpha))-
| Molecular Formula | C23H27N5O5 |
|---|---|
| Molecular Weight | 453.20 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.20123 |
| Heavy Atoms | 33 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 152104-53-5 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)C3C4C5[C@@H](C[C@@H](N5C)C(N4C2CO)C#N)C(N3CCO)C#N)OC |
| InChIKey | WTMKTMCADOSNBQ-FMDZXFMMSA-N |
Product Overview
Cyanocycline D (CAS 152104-53-5), with molecular formula C23H27N5O5 and molecular weight 453.20 g/mol. IUPAC: (1R,3R)-5-(2-hydroxyethyl)-13-(hydroxymethyl)-10-methoxy-9,17-dimethyl-8,11-dioxo-5,14,17-triazapentacyclo[12.3.1.03,16.06,15.07,12]octadeca-7(12),9-diene-4,18-dicarbonitrile.
Chemical Property Profile of Cyanocycline D
Property Insights of Cyanocycline D
The XLogP value of -1.4 indicates that Cyanocycline D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting Cyanocycline D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyanocycline D has 2 hydrogen bond donor(s) and 10 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 Cyanocycline D?
The CAS number of Cyanocycline D is 152104-53-5.
What is the molecular formula of Cyanocycline D?
The molecular formula of Cyanocycline D is C23H27N5O5.
What is the molecular weight of Cyanocycline D?
The molecular weight of Cyanocycline D is 453.20 g/mol.
Where can I buy Cyanocycline D?
You can request a quote for Cyanocycline D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanocycline D?
Yes, KEHONG BIO provides custom synthesis services for Cyanocycline D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.