双(2-异氰酸乙基)碳酸酯
TL;DR: 双(2-异氰酸乙基)碳酸酯 (CAS 13025-29-1) is a chemical compound with molecular formula C7H8N2O5 and molecular weight 200.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双(2-异氰酸乙基)碳酸酯
bis(2-isocyanatoethyl) carbonate
Also Known As: bis(2-isocyanatoethyl) carbonate, Bis(2-isocyanatoethyl)carbonate, Ethanol, 2-isocyanato-, carbonate (2:1) (ester), bis(2-isocyanato-ethyl)carbonate, 1,4-Di-N,N'-morpholinobut-2-in
| Molecular Formula | C7H8N2O5 |
|---|---|
| Molecular Weight | 200.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 94.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 200.04332 |
| Heavy Atoms | 14 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 13025-29-1 |
|---|---|
| SMILES | C(COC(=O)OCCN=C=O)N=C=O |
| InChIKey | DZYFUUQMKQBVBY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双(2-异氰酸乙基)碳酸酯 (CAS 13025-29-1), with molecular formula C7H8N2O5 and molecular weight 200.04 g/mol. IUPAC: bis(2-isocyanatoethyl) carbonate.
Chemical Property Profile of 双(2-异氰酸乙基)碳酸酯
Property Insights of 双(2-异氰酸乙基)碳酸酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 双(2-异氰酸乙基)碳酸酯. The TPSA of 94.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 双(2-异氰酸乙基)碳酸酯. Following Lipinski's Rule of Five, 双(2-异氰酸乙基)碳酸酯 has 0 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 双(2-异氰酸乙基)碳酸酯?
The CAS number of 双(2-异氰酸乙基)碳酸酯 is 13025-29-1.
What is the molecular formula of 双(2-异氰酸乙基)碳酸酯?
The molecular formula of 双(2-异氰酸乙基)碳酸酯 is C7H8N2O5.
What is the molecular weight of 双(2-异氰酸乙基)碳酸酯?
The molecular weight of 双(2-异氰酸乙基)碳酸酯 is 200.04 g/mol.
Where can I buy 双(2-异氰酸乙基)碳酸酯?
You can request a quote for 双(2-异氰酸乙基)碳酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双(2-异氰酸乙基)碳酸酯?
Yes, KEHONG BIO provides custom synthesis services for 双(2-异氰酸乙基)碳酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.