2'-Deoxy-5-methyl-2-thiocytidine
TL;DR: 2'-Deoxy-5-methyl-2-thiocytidine (CAS 333381-59-2) is a chemical compound with molecular formula C10H15N3O3S and molecular weight 257.08 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-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione
Also Known As: 2'-Deoxy-5-methyl-2-thiocytidine, J3.050.923D, 4-Amino-5-methyl-1-(2-deoxy-beta-D-ribofuranosyl)pyrimidine-2(1H)-thione, 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidine-2-thione, 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione
| Molecular Formula | C10H15N3O3S |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | 0.14391 |
| Topological Polar Surface Area | 93.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.0834 |
| Heavy Atoms | 17 |
| Complexity | 476.3542 |
Chemical Identifiers
| CAS Number | 333381-59-2 |
|---|---|
| SMILES | CC1=CN(C(=S)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)O |
Product Overview
2'-Deoxy-5-methyl-2-thiocytidine (CAS 333381-59-2), with molecular formula C10H15N3O3S and molecular weight 257.08 g/mol. IUPAC: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione.
Chemical Property Profile of 2'-Deoxy-5-methyl-2-thiocytidine
Property Insights of 2'-Deoxy-5-methyl-2-thiocytidine
The XLogP value of 0.14391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Deoxy-5-methyl-2-thiocytidine. The TPSA of 93.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Deoxy-5-methyl-2-thiocytidine. Following Lipinski's Rule of Five, 2'-Deoxy-5-methyl-2-thiocytidine 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 2'-Deoxy-5-methyl-2-thiocytidine?
The CAS number of 2'-Deoxy-5-methyl-2-thiocytidine is 333381-59-2.
What is the molecular formula of 2'-Deoxy-5-methyl-2-thiocytidine?
The molecular formula of 2'-Deoxy-5-methyl-2-thiocytidine is C10H15N3O3S.
What is the molecular weight of 2'-Deoxy-5-methyl-2-thiocytidine?
The molecular weight of 2'-Deoxy-5-methyl-2-thiocytidine is 257.08 g/mol.
Where can I buy 2'-Deoxy-5-methyl-2-thiocytidine?
You can request a quote for 2'-Deoxy-5-methyl-2-thiocytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Deoxy-5-methyl-2-thiocytidine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-5-methyl-2-thiocytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.