N-p-Toluoyl-5-fluoro-2'-deoxycytidine
TL;DR: N-p-Toluoyl-5-fluoro-2'-deoxycytidine (CAS 6036-90-4) is a chemical compound with molecular formula C17H18FN3O5 and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methylbenzamide
Also Known As: N-p-Toluoyl-5-fluoro-2'-deoxycytidine, N(sup 4)-p-Toluoyl-5-fluoro-2'-deoxycytidine, 2'-Deoxy-5-fluoro-N-(4-methylbenzoyl)cytidine, p-Toluamide, N-(1-(2-deoxy-beta-D-erythro-pentofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-, Benzamide, N-[1-(2-deoxy-
| Molecular Formula | C17H18FN3O5 |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.12305 |
| Heavy Atoms | 26 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 6036-90-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2F)[C@H]3C[C@@H]([C@H](O3)CO)O |
| InChIKey | VCRXENKFMIAZPE-BFHYXJOUSA-N |
Product Overview
N-p-Toluoyl-5-fluoro-2'-deoxycytidine (CAS 6036-90-4), with molecular formula C17H18FN3O5 and molecular weight 363.12 g/mol. IUPAC: N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methylbenzamide.
Chemical Property Profile of N-p-Toluoyl-5-fluoro-2'-deoxycytidine
Property Insights of N-p-Toluoyl-5-fluoro-2'-deoxycytidine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-p-Toluoyl-5-fluoro-2'-deoxycytidine. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-p-Toluoyl-5-fluoro-2'-deoxycytidine. Following Lipinski's Rule of Five, N-p-Toluoyl-5-fluoro-2'-deoxycytidine 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 N-p-Toluoyl-5-fluoro-2'-deoxycytidine?
The CAS number of N-p-Toluoyl-5-fluoro-2'-deoxycytidine is 6036-90-4.
What is the molecular formula of N-p-Toluoyl-5-fluoro-2'-deoxycytidine?
The molecular formula of N-p-Toluoyl-5-fluoro-2'-deoxycytidine is C17H18FN3O5.
What is the molecular weight of N-p-Toluoyl-5-fluoro-2'-deoxycytidine?
The molecular weight of N-p-Toluoyl-5-fluoro-2'-deoxycytidine is 363.12 g/mol.
Where can I buy N-p-Toluoyl-5-fluoro-2'-deoxycytidine?
You can request a quote for N-p-Toluoyl-5-fluoro-2'-deoxycytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-p-Toluoyl-5-fluoro-2'-deoxycytidine?
Yes, KEHONG BIO provides custom synthesis services for N-p-Toluoyl-5-fluoro-2'-deoxycytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.