DSSTox_CID_4553
TL;DR: DSSTox_CID_4553 (CAS 97716-26-2) is a chemical compound with molecular formula C9H11ClFN3O4 and molecular weight 279.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-chloro-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Also Known As: DSSTox_CID_4553, Cytidine, 5-chloro-2'-deoxy-2'-fluoro-, 5-chloro-2'-deoxy-2'-fluorocytidine, 2(1H)-Pyrimidinone, 4-amino-5-chloro-1-(2-deoxy-2-fluoro-beta-D-ribofuranosyl)-, 4-amino-5-chloro-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
| Molecular Formula | C9H11ClFN3O4 |
|---|---|
| Molecular Weight | 279.04 g/mol |
| LogP | -0.9324 |
| Topological Polar Surface Area | 110.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.0422 |
| Heavy Atoms | 18 |
| Complexity | 511.0764 |
Chemical Identifiers
| CAS Number | 97716-26-2 |
|---|---|
| SMILES | C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)F)N)Cl |
Product Overview
DSSTox_CID_4553 (CAS 97716-26-2), with molecular formula C9H11ClFN3O4 and molecular weight 279.04 g/mol. IUPAC: 4-amino-5-chloro-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of DSSTox_CID_4553
Property Insights of DSSTox_CID_4553
The XLogP value of -0.9324 indicates that DSSTox_CID_4553 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.6 Ų falls within the moderate polarity range, balancing permeability and solubility for DSSTox_CID_4553. Following Lipinski's Rule of Five, DSSTox_CID_4553 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 DSSTox_CID_4553?
The CAS number of DSSTox_CID_4553 is 97716-26-2.
What is the molecular formula of DSSTox_CID_4553?
The molecular formula of DSSTox_CID_4553 is C9H11ClFN3O4.
What is the molecular weight of DSSTox_CID_4553?
The molecular weight of DSSTox_CID_4553 is 279.04 g/mol.
Where can I buy DSSTox_CID_4553?
You can request a quote for DSSTox_CID_4553 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DSSTox_CID_4553?
Yes, KEHONG BIO provides custom synthesis services for DSSTox_CID_4553 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.