5'-Thymidylic acid, dibutyl ester
TL;DR: 5'-Thymidylic acid, dibutyl ester (CAS 130752-96-4) is a chemical compound with molecular formula C18H31N2O8P and molecular weight 434.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
Also Known As: 5'-diBu-PO4T, 5'-Thymidylic acid, dibutyl ester, Thymidine-5'-dibutyl phosphate, 5'-O-(Dibutoxyphosphoryl)thymidine, dibutyl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl phosphate
| Molecular Formula | C18H31N2O8P |
|---|---|
| Molecular Weight | 434.18 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 434.1818 |
| Heavy Atoms | 29 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 130752-96-4 |
|---|---|
| SMILES | CCCCOP(=O)(OCCCC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O |
| InChIKey | UXXLAGMYHSGZNX-ARFHVFGLSA-N |
Product Overview
5'-Thymidylic acid, dibutyl ester (CAS 130752-96-4), with molecular formula C18H31N2O8P and molecular weight 434.18 g/mol. IUPAC: dibutyl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate.
Chemical Property Profile of 5'-Thymidylic acid, dibutyl ester
Property Insights of 5'-Thymidylic acid, dibutyl ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-Thymidylic acid, dibutyl ester. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-Thymidylic acid, dibutyl ester. Following Lipinski's Rule of Five, 5'-Thymidylic acid, dibutyl ester has 2 hydrogen bond donor(s) and 8 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 5'-Thymidylic acid, dibutyl ester?
The CAS number of 5'-Thymidylic acid, dibutyl ester is 130752-96-4.
What is the molecular formula of 5'-Thymidylic acid, dibutyl ester?
The molecular formula of 5'-Thymidylic acid, dibutyl ester is C18H31N2O8P.
What is the molecular weight of 5'-Thymidylic acid, dibutyl ester?
The molecular weight of 5'-Thymidylic acid, dibutyl ester is 434.18 g/mol.
Where can I buy 5'-Thymidylic acid, dibutyl ester?
You can request a quote for 5'-Thymidylic acid, dibutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Thymidylic acid, dibutyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5'-Thymidylic acid, dibutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.