Butanedioic acid, (triphenylphosphoranylidene)-, dimethyl ester
TL;DR: Butanedioic acid, (triphenylphosphoranylidene)-, dimethyl ester (CAS 1104-78-5) is a chemical compound with molecular formula C24H23O4P and molecular weight 406.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(triphenyl-λ5-phosphanylidene)butanedioate
Also Known As: dimethyl 2-(triphenyl-, Butanedioic acid, (triphenylphosphoranylidene)-, dimethyl ester, dimethyl triphenylphosphoranylidene succinate, Dimethyl 2-(triphenylphosphoranylidene)succinate, 2-(Triphenylphosphoranylidene)butanedioic acid dimethyl ester
| Molecular Formula | C24H23O4P |
|---|---|
| Molecular Weight | 406.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.1334 |
| Heavy Atoms | 29 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 1104-78-5 |
|---|---|
| SMILES | COC(=O)CC(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC |
| InChIKey | QPWAALDFLDDMIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanedioic acid, (triphenylphosphoranylidene)-, dimethyl ester (CAS 1104-78-5), with molecular formula C24H23O4P and molecular weight 406.13 g/mol. IUPAC: dimethyl 2-(triphenyl-λ5-phosphanylidene)butanedioate.
Chemical Property Profile of Butanedioic acid, (triphenylphosphoranylidene)-, dimethyl ester
Property Insights of Butanedioic acid, (triphenylphosphoranylidene)-, dimethyl ester
The XLogP value of 4.0 indicates that Butanedioic acid, (triphenylphosphoranylidene)-, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Butanedioic acid, (triphenylphosphoranylidene)-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanedioic acid, (triphenylphosphoranylidene)-, dimethyl ester has 0 hydrogen bond donor(s) and 4 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 Butanedioic acid, (triphenylphosphoranylidene)-, dimethyl ester?
The CAS number of Butanedioic acid, (triphenylphosphoranylidene)-, dimethyl ester is 1104-78-5.
What is the molecular formula of Butanedioic acid, (triphenylphosphoranylidene)-, dimethyl ester?
The molecular formula of Butanedioic acid, (triphenylphosphoranylidene)-, dimethyl ester is C24H23O4P.
What is the molecular weight of Butanedioic acid, (triphenylphosphoranylidene)-, dimethyl ester?
The molecular weight of Butanedioic acid, (triphenylphosphoranylidene)-, dimethyl ester is 406.13 g/mol.
Where can I buy Butanedioic acid, (triphenylphosphoranylidene)-, dimethyl ester?
You can request a quote for Butanedioic acid, (triphenylphosphoranylidene)-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, (triphenylphosphoranylidene)-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, (triphenylphosphoranylidene)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.