2-Butyne-1,4-diol dicarbanilate
TL;DR: 2-Butyne-1,4-diol dicarbanilate (CAS 24950-98-9) is a chemical compound with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(phenylcarbamoyloxy)but-2-ynyl N-phenylcarbamate
Also Known As: but-2-yne-1,4-diyl bis(phenylcarbamate), 2-BUTYNE-1,4-DIOL DICARBANILATE, 4-(phenylcarbamoyloxy)but-2-ynyl N-phenylcarbamate, J2.246.027G, 2-Butyne-1,4-diol,1,4-bis(N-phenylcarbamate)
| Molecular Formula | C18H16N2O4 |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.111 |
| Heavy Atoms | 24 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 24950-98-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)OCC#CCOC(=O)NC2=CC=CC=C2 |
| InChIKey | RULCWOHYYYFGED-UHFFFAOYSA-N |
Product Overview
2-Butyne-1,4-diol dicarbanilate (CAS 24950-98-9), with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol. IUPAC: 4-(phenylcarbamoyloxy)but-2-ynyl N-phenylcarbamate.
Chemical Property Profile of 2-Butyne-1,4-diol dicarbanilate
Property Insights of 2-Butyne-1,4-diol dicarbanilate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyne-1,4-diol dicarbanilate. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butyne-1,4-diol dicarbanilate. Following Lipinski's Rule of Five, 2-Butyne-1,4-diol dicarbanilate has 2 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 2-Butyne-1,4-diol dicarbanilate?
The CAS number of 2-Butyne-1,4-diol dicarbanilate is 24950-98-9.
What is the molecular formula of 2-Butyne-1,4-diol dicarbanilate?
The molecular formula of 2-Butyne-1,4-diol dicarbanilate is C18H16N2O4.
What is the molecular weight of 2-Butyne-1,4-diol dicarbanilate?
The molecular weight of 2-Butyne-1,4-diol dicarbanilate is 324.11 g/mol.
Where can I buy 2-Butyne-1,4-diol dicarbanilate?
You can request a quote for 2-Butyne-1,4-diol dicarbanilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyne-1,4-diol dicarbanilate?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyne-1,4-diol dicarbanilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.