cortisol-4-ara-C
TL;DR: cortisol-4-ara-C (CAS 78066-05-4) is a chemical compound with molecular formula C30H42N3O12P and molecular weight 667.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] hydrogen phosphate
Also Known As: Cortisol-p-ara-C, Cortisol-4-ara-C, 4-amino-1-(5-o-{[(11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)oxy](hydroxy)phosphoryl}pentofuranosyl)pyrimidin-2(1h)-one, [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] hydrogen phosphate, [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen phosphate
| Molecular Formula | C30H42N3O12P |
|---|---|
| Molecular Weight | 667.25 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 239.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 667.2506 |
| Heavy Atoms | 46 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 78066-05-4 |
|---|---|
| SMILES | CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COP(=O)(O)OCC5C(C(C(O5)N6C=CC(=NC6=O)N)O)O)O)C)O |
| InChIKey | PYRHNBFJHWMQSW-UHFFFAOYSA-N |
Product Overview
cortisol-4-ara-C (CAS 78066-05-4), with molecular formula C30H42N3O12P and molecular weight 667.25 g/mol. IUPAC: [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] hydrogen phosphate.
Chemical Property Profile of cortisol-4-ara-C
Property Insights of cortisol-4-ara-C
The XLogP value of -1.5 indicates that cortisol-4-ara-C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 239.0 Ų indicates high polarity, suggesting cortisol-4-ara-C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, cortisol-4-ara-C has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of cortisol-4-ara-C?
The CAS number of cortisol-4-ara-C is 78066-05-4.
What is the molecular formula of cortisol-4-ara-C?
The molecular formula of cortisol-4-ara-C is C30H42N3O12P.
What is the molecular weight of cortisol-4-ara-C?
The molecular weight of cortisol-4-ara-C is 667.25 g/mol.
Where can I buy cortisol-4-ara-C?
You can request a quote for cortisol-4-ara-C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cortisol-4-ara-C?
Yes, KEHONG BIO provides custom synthesis services for cortisol-4-ara-C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.