1-(3,5-Di-o-butanoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione
TL;DR: 1-(3,5-Di-o-butanoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione (CAS 3434-24-0) is a chemical compound with molecular formula C18H26N2O7 and molecular weight 382.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-butanoyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl butanoate
Also Known As: KST-1B3370, 2'-Deoxy-5-fluorouridine 3',5'-dioctanoate, 1-(3,5-di-o-butanoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione, [3-butanoyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl butanoate, [3-butanoyloxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl butanoate
| Molecular Formula | C18H26N2O7 |
|---|---|
| Molecular Weight | 382.17 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 382.174 |
| Heavy Atoms | 27 |
| Complexity | 631.0 |
Chemical Identifiers
| CAS Number | 3434-24-0 |
|---|---|
| SMILES | CCCC(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)OC(=O)CCC |
| InChIKey | MPEMIOZQASDBPA-UHFFFAOYSA-N |
Product Overview
1-(3,5-Di-o-butanoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione (CAS 3434-24-0), with molecular formula C18H26N2O7 and molecular weight 382.17 g/mol. IUPAC: [3-butanoyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl butanoate.
Chemical Property Profile of 1-(3,5-Di-o-butanoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione
Property Insights of 1-(3,5-Di-o-butanoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5-Di-o-butanoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,5-Di-o-butanoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione. Following Lipinski's Rule of Five, 1-(3,5-Di-o-butanoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione has 1 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 1-(3,5-Di-o-butanoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione?
The CAS number of 1-(3,5-Di-o-butanoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione is 3434-24-0.
What is the molecular formula of 1-(3,5-Di-o-butanoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione?
The molecular formula of 1-(3,5-Di-o-butanoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione is C18H26N2O7.
What is the molecular weight of 1-(3,5-Di-o-butanoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione?
The molecular weight of 1-(3,5-Di-o-butanoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione is 382.17 g/mol.
Where can I buy 1-(3,5-Di-o-butanoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione?
You can request a quote for 1-(3,5-Di-o-butanoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-Di-o-butanoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-Di-o-butanoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.