![1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester structure](/static/products/997/99747-55-4.png)
1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester
TL;DR: 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester (CAS 99747-55-4) is a chemical compound with molecular formula C27H26N3O4P and molecular weight 487.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,3-dimethyl-2,4-dioxo-6-[(triphenyl-λ5-phosphanylidene)amino]pyrimidine-5-carboxylate
Also Known As: 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester, ethyl 1,3-dimethyl-2,4-dioxo-6-[(triphenyl-, ethyl 1,3-dimethyl-2,4-dioxo-6-[(triphenyl-$l^{5}-phosphanylidene)amino]pyrimidine-5-carboxylate, ethyl 1,3-dimethyl-2,4-dioxo-6-[(triphenyl-, E5-phosphanylidene)amino]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C27H26N3O4P |
|---|---|
| Molecular Weight | 487.17 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.1661 |
| Heavy Atoms | 35 |
| Complexity | 844.0 |
Chemical Identifiers
| CAS Number | 99747-55-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=O)N(C1=O)C)C)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | USJZVTFUUMIONT-UHFFFAOYSA-N |
Product Overview
1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester (CAS 99747-55-4), with molecular formula C27H26N3O4P and molecular weight 487.17 g/mol. IUPAC: ethyl 1,3-dimethyl-2,4-dioxo-6-[(triphenyl-λ5-phosphanylidene)amino]pyrimidine-5-carboxylate.
Chemical Property Profile of 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester
Property Insights of 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester
The XLogP value of 4.6 indicates that 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester has 0 hydrogen bond donor(s) and 5 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 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester?
The CAS number of 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester is 99747-55-4.
What is the molecular formula of 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester?
The molecular formula of 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester is C27H26N3O4P.
What is the molecular weight of 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester?
The molecular weight of 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester is 487.17 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester?
You can request a quote for 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.