Adamantoylcytarabine
TL;DR: Adamantoylcytarabine (CAS 23113-01-1) is a chemical compound with molecular formula C20H27N3O6 and molecular weight 405.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl adamantane-1-carboxylate
Also Known As: Adamantoylcytarabine, Adamotyl ara-C, Adamantoyl cytarabine, Adam CA, ADOCA
| Molecular Formula | C20H27N3O6 |
|---|---|
| Molecular Weight | 405.19 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.18997 |
| Heavy Atoms | 29 |
| Complexity | 739.0 |
Chemical Identifiers
| CAS Number | 23113-01-1 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)OC[C@@H]4[C@H]([C@@H]([C@@H](O4)N5C=CC(=NC5=O)N)O)O |
| InChIKey | NMANUXYHRYVLDW-UITAOGKOSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Adamantoylcytarabine (CAS 23113-01-1), with molecular formula C20H27N3O6 and molecular weight 405.19 g/mol. IUPAC: [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl adamantane-1-carboxylate.
Chemical Property Profile of Adamantoylcytarabine
Property Insights of Adamantoylcytarabine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adamantoylcytarabine. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Adamantoylcytarabine. Following Lipinski's Rule of Five, Adamantoylcytarabine has 3 hydrogen bond donor(s) and 6 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 Adamantoylcytarabine?
The CAS number of Adamantoylcytarabine is 23113-01-1.
What is the molecular formula of Adamantoylcytarabine?
The molecular formula of Adamantoylcytarabine is C20H27N3O6.
What is the molecular weight of Adamantoylcytarabine?
The molecular weight of Adamantoylcytarabine is 405.19 g/mol.
Where can I buy Adamantoylcytarabine?
You can request a quote for Adamantoylcytarabine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adamantoylcytarabine?
Yes, KEHONG BIO provides custom synthesis services for Adamantoylcytarabine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.