Cytidine, 2'-deoxy-5-(1-propynyl)-, 3'-(dihydrogen phosphorothioate) (9CI)
TL;DR: Cytidine, 2'-deoxy-5-(1-propynyl)-, 3'-(dihydrogen phosphorothioate) (9CI) (CAS 283608-72-0) is a chemical compound with molecular formula C12H16N3O6PS and molecular weight 361.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2R,4S,5R)-4-dihydroxyphosphinothioyloxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-ynylpyrimidin-2-one
Also Known As: Cytidine, 2'-deoxy-5-(1-propynyl)-, 3'-(dihydrogen phosphorothioate) (9CI)
| Molecular Formula | C12H16N3O6PS |
|---|---|
| Molecular Weight | 361.05 g/mol |
| LogP | -0.929 |
| Topological Polar Surface Area | 140.06 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.04974 |
| Heavy Atoms | 23 |
| Complexity | 751.38855 |
Chemical Identifiers
| CAS Number | 283608-72-0 |
|---|---|
| SMILES | CC#CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)OP(=S)(O)O |
Product Overview
Cytidine, 2'-deoxy-5-(1-propynyl)-, 3'-(dihydrogen phosphorothioate) (9CI) (CAS 283608-72-0), with molecular formula C12H16N3O6PS and molecular weight 361.05 g/mol. IUPAC: 4-amino-1-[(2R,4S,5R)-4-dihydroxyphosphinothioyloxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-ynylpyrimidin-2-one.
Chemical Property Profile of Cytidine, 2'-deoxy-5-(1-propynyl)-, 3'-(dihydrogen phosphorothioate) (9CI)
Property Insights of Cytidine, 2'-deoxy-5-(1-propynyl)-, 3'-(dihydrogen phosphorothioate) (9CI)
The XLogP value of -0.929 indicates that Cytidine, 2'-deoxy-5-(1-propynyl)-, 3'-(dihydrogen phosphorothioate) (9CI) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.06 Ų indicates high polarity, suggesting Cytidine, 2'-deoxy-5-(1-propynyl)-, 3'-(dihydrogen phosphorothioate) (9CI) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cytidine, 2'-deoxy-5-(1-propynyl)-, 3'-(dihydrogen phosphorothioate) (9CI) has 4 hydrogen bond donor(s) and 7 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 Cytidine, 2'-deoxy-5-(1-propynyl)-, 3'-(dihydrogen phosphorothioate) (9CI)?
The CAS number of Cytidine, 2'-deoxy-5-(1-propynyl)-, 3'-(dihydrogen phosphorothioate) (9CI) is 283608-72-0.
What is the molecular formula of Cytidine, 2'-deoxy-5-(1-propynyl)-, 3'-(dihydrogen phosphorothioate) (9CI)?
The molecular formula of Cytidine, 2'-deoxy-5-(1-propynyl)-, 3'-(dihydrogen phosphorothioate) (9CI) is C12H16N3O6PS.
What is the molecular weight of Cytidine, 2'-deoxy-5-(1-propynyl)-, 3'-(dihydrogen phosphorothioate) (9CI)?
The molecular weight of Cytidine, 2'-deoxy-5-(1-propynyl)-, 3'-(dihydrogen phosphorothioate) (9CI) is 361.05 g/mol.
Where can I buy Cytidine, 2'-deoxy-5-(1-propynyl)-, 3'-(dihydrogen phosphorothioate) (9CI)?
You can request a quote for Cytidine, 2'-deoxy-5-(1-propynyl)-, 3'-(dihydrogen phosphorothioate) (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cytidine, 2'-deoxy-5-(1-propynyl)-, 3'-(dihydrogen phosphorothioate) (9CI)?
Yes, KEHONG BIO provides custom synthesis services for Cytidine, 2'-deoxy-5-(1-propynyl)-, 3'-(dihydrogen phosphorothioate) (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.