5-methoxycarbonylmethyl-2'-deoxyuridine
TL;DR: 5-methoxycarbonylmethyl-2'-deoxyuridine (CAS 77181-57-8) is a chemical compound with molecular formula C12H16N2O7 and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetate
Also Known As: 5-methoxycarbonylmethyl-2'-deoxyuridine, 5-(Methoxycarbonylmethyl)-2 -deoxyuridine, J1.650.587K, 5-[(Methoxycarbonyl)methyl]-2 -deoxyuridine, (2 -Deoxyuridine-5-yl)acetic acid methyl ester
| Molecular Formula | C12H16N2O7 |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | -2.1072 |
| Topological Polar Surface Area | 130.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.09576 |
| Heavy Atoms | 21 |
| Complexity | 635.2285 |
Chemical Identifiers
| CAS Number | 77181-57-8 |
|---|---|
| SMILES | COC(=O)CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O |
Product Overview
5-methoxycarbonylmethyl-2'-deoxyuridine (CAS 77181-57-8), with molecular formula C12H16N2O7 and molecular weight 300.10 g/mol. IUPAC: methyl 2-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetate.
Chemical Property Profile of 5-methoxycarbonylmethyl-2'-deoxyuridine
Property Insights of 5-methoxycarbonylmethyl-2'-deoxyuridine
The XLogP value of -2.1072 indicates that 5-methoxycarbonylmethyl-2'-deoxyuridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methoxycarbonylmethyl-2'-deoxyuridine. Following Lipinski's Rule of Five, 5-methoxycarbonylmethyl-2'-deoxyuridine has 3 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 5-methoxycarbonylmethyl-2'-deoxyuridine?
The CAS number of 5-methoxycarbonylmethyl-2'-deoxyuridine is 77181-57-8.
What is the molecular formula of 5-methoxycarbonylmethyl-2'-deoxyuridine?
The molecular formula of 5-methoxycarbonylmethyl-2'-deoxyuridine is C12H16N2O7.
What is the molecular weight of 5-methoxycarbonylmethyl-2'-deoxyuridine?
The molecular weight of 5-methoxycarbonylmethyl-2'-deoxyuridine is 300.10 g/mol.
Where can I buy 5-methoxycarbonylmethyl-2'-deoxyuridine?
You can request a quote for 5-methoxycarbonylmethyl-2'-deoxyuridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methoxycarbonylmethyl-2'-deoxyuridine?
Yes, KEHONG BIO provides custom synthesis services for 5-methoxycarbonylmethyl-2'-deoxyuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.