异氰基乙酸乙酯
TL;DR: 异氰基乙酸乙酯 (CAS 2999-46-4) is a chemical compound with molecular formula C11H23N3O2 and molecular weight 229.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异氰基乙酸乙酯
N-carbamoyl-2-(dibutylamino)acetamide
Also Known As: n2,n2-dibutyl-n-carbamoylglycinamide, N-carbamoyl-2-(dibutylamino)acetamide, Acetamide, N-(aminocarbonyl)-2-(dibutylamino)-, N~2~,N~2~-Dibutyl-N-carbamoylglycinamide, Acetamide,n-(aminocarbonyl)-2-(dibutylamino)-
| Molecular Formula | C11H23N3O2 |
|---|---|
| Molecular Weight | 229.18 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 229.17903 |
| Heavy Atoms | 16 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 2999-46-4 |
|---|---|
| SMILES | CCCCN(CCCC)CC(=O)NC(=O)N |
| InChIKey | IYZKSPKMQZCCBN-UHFFFAOYSA-N |
Product Overview
异氰基乙酸乙酯 (CAS 2999-46-4), with molecular formula C11H23N3O2 and molecular weight 229.18 g/mol. IUPAC: N-carbamoyl-2-(dibutylamino)acetamide.
Chemical Property Profile of 异氰基乙酸乙酯
Property Insights of 异氰基乙酸乙酯
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异氰基乙酸乙酯. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 异氰基乙酸乙酯. Following Lipinski's Rule of Five, 异氰基乙酸乙酯 has 2 hydrogen bond donor(s) and 3 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 异氰基乙酸乙酯?
The CAS number of 异氰基乙酸乙酯 is 2999-46-4.
What is the molecular formula of 异氰基乙酸乙酯?
The molecular formula of 异氰基乙酸乙酯 is C11H23N3O2.
What is the molecular weight of 异氰基乙酸乙酯?
The molecular weight of 异氰基乙酸乙酯 is 229.18 g/mol.
Where can I buy 异氰基乙酸乙酯?
You can request a quote for 异氰基乙酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异氰基乙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 异氰基乙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.