5'-Thymidylic acid, dipropyl ester, 3'-acetate
TL;DR: 5'-Thymidylic acid, dipropyl ester, 3'-acetate (CAS 130753-01-4) is a chemical compound with molecular formula C18H29N2O9P and molecular weight 448.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-2-(dipropoxyphosphoryloxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
Also Known As: 3'-Ac-5'-diPrPO4T, 5'-Thymidylic acid, dipropyl ester, 3'-acetate, 3'-O-acetylthymidine-5'-dipropyl phosphate, 3'-O-Acetyl-5'-O-(dipropoxyphosphoryl)thymidine, [(2R,3S,5R)-2-(dipropoxyphosphoryloxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] acetate
| Molecular Formula | C18H29N2O9P |
|---|---|
| Molecular Weight | 448.16 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 448.16107 |
| Heavy Atoms | 30 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 130753-01-4 |
|---|---|
| SMILES | CCCOP(=O)(OCCC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OC(=O)C |
| InChIKey | DFSHWFQUDZZFDL-ARFHVFGLSA-N |
Product Overview
5'-Thymidylic acid, dipropyl ester, 3'-acetate (CAS 130753-01-4), with molecular formula C18H29N2O9P and molecular weight 448.16 g/mol. IUPAC: [(2R,3S,5R)-2-(dipropoxyphosphoryloxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate.
Chemical Property Profile of 5'-Thymidylic acid, dipropyl ester, 3'-acetate
Property Insights of 5'-Thymidylic acid, dipropyl ester, 3'-acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-Thymidylic acid, dipropyl ester, 3'-acetate. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-Thymidylic acid, dipropyl ester, 3'-acetate. Following Lipinski's Rule of Five, 5'-Thymidylic acid, dipropyl ester, 3'-acetate has 1 hydrogen bond donor(s) and 9 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, dipropyl ester, 3'-acetate?
The CAS number of 5'-Thymidylic acid, dipropyl ester, 3'-acetate is 130753-01-4.
What is the molecular formula of 5'-Thymidylic acid, dipropyl ester, 3'-acetate?
The molecular formula of 5'-Thymidylic acid, dipropyl ester, 3'-acetate is C18H29N2O9P.
What is the molecular weight of 5'-Thymidylic acid, dipropyl ester, 3'-acetate?
The molecular weight of 5'-Thymidylic acid, dipropyl ester, 3'-acetate is 448.16 g/mol.
Where can I buy 5'-Thymidylic acid, dipropyl ester, 3'-acetate?
You can request a quote for 5'-Thymidylic acid, dipropyl ester, 3'-acetate 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, dipropyl ester, 3'-acetate?
Yes, KEHONG BIO provides custom synthesis services for 5'-Thymidylic acid, dipropyl ester, 3'-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.