5'-Thymidylic acid, dipropyl ester, 3'-methanesulfonate
TL;DR: 5'-Thymidylic acid, dipropyl ester, 3'-methanesulfonate (CAS 130752-98-6) is a chemical compound with molecular formula C17H29N2O10PS and molecular weight 484.13 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] methanesulfonate
Also Known As: 5'-diPrPO4-3'-CH3SO2T, 5'-Thymidylic acid, dipropyl ester, 3'-methanesulfonate, 3'-O-methanesulphonylthymidine-5'-dipropyl phosphate, 5'-O-(Dipropoxyphosphoryl)-3'-O-(methanesulfonyl)thymidine, [(2R,3S,5R)-2-(dipropoxyphosphoryloxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] methanesulfonate
| Molecular Formula | C17H29N2O10PS |
|---|---|
| Molecular Weight | 484.13 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 484.12805 |
| Heavy Atoms | 31 |
| Complexity | 828.0 |
Chemical Identifiers
| CAS Number | 130752-98-6 |
|---|---|
| SMILES | CCCOP(=O)(OCCC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OS(=O)(=O)C |
| InChIKey | KKELJYPCWQBGSA-RRFJBIMHSA-N |
Product Overview
5'-Thymidylic acid, dipropyl ester, 3'-methanesulfonate (CAS 130752-98-6), with molecular formula C17H29N2O10PS and molecular weight 484.13 g/mol. IUPAC: [(2R,3S,5R)-2-(dipropoxyphosphoryloxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methanesulfonate.
Chemical Property Profile of 5'-Thymidylic acid, dipropyl ester, 3'-methanesulfonate
Property Insights of 5'-Thymidylic acid, dipropyl ester, 3'-methanesulfonate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-Thymidylic acid, dipropyl ester, 3'-methanesulfonate. The TPSA of 155.0 Ų indicates high polarity, suggesting 5'-Thymidylic acid, dipropyl ester, 3'-methanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-Thymidylic acid, dipropyl ester, 3'-methanesulfonate has 1 hydrogen bond donor(s) and 10 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'-methanesulfonate?
The CAS number of 5'-Thymidylic acid, dipropyl ester, 3'-methanesulfonate is 130752-98-6.
What is the molecular formula of 5'-Thymidylic acid, dipropyl ester, 3'-methanesulfonate?
The molecular formula of 5'-Thymidylic acid, dipropyl ester, 3'-methanesulfonate is C17H29N2O10PS.
What is the molecular weight of 5'-Thymidylic acid, dipropyl ester, 3'-methanesulfonate?
The molecular weight of 5'-Thymidylic acid, dipropyl ester, 3'-methanesulfonate is 484.13 g/mol.
Where can I buy 5'-Thymidylic acid, dipropyl ester, 3'-methanesulfonate?
You can request a quote for 5'-Thymidylic acid, dipropyl ester, 3'-methanesulfonate 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'-methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 5'-Thymidylic acid, dipropyl ester, 3'-methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.