正丁基氨基甲酸
TL;DR: 正丁基氨基甲酸 (CAS 14994-77-5) is a chemical compound with molecular formula C5H11NO2 and molecular weight 117.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
正丁基氨基甲酸
butylcarbamic acid
Also Known As: Butylcarbamic Acid, n-butylcarbamic acid, Carbamic acid, N-butyl-, J2.457.274I
| Molecular Formula | C5H11NO2 |
|---|---|
| Molecular Weight | 117.08 g/mol |
| LogP | 1.0541 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 117.07898 |
| Heavy Atoms | 8 |
| Complexity | 72.82892 |
Chemical Identifiers
| CAS Number | 14994-77-5 |
|---|---|
| SMILES | CCCCNC(=O)O |
Product Overview
正丁基氨基甲酸 (CAS 14994-77-5), with molecular formula C5H11NO2 and molecular weight 117.08 g/mol. IUPAC: butylcarbamic acid.
Chemical Property Profile of 正丁基氨基甲酸
Property Insights of 正丁基氨基甲酸
The XLogP value of 1.0541 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 正丁基氨基甲酸. With a topological polar surface area (TPSA) of 49.33 Ų, 正丁基氨基甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 正丁基氨基甲酸 has 2 hydrogen bond donor(s) and 1 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 正丁基氨基甲酸?
The CAS number of 正丁基氨基甲酸 is 14994-77-5.
What is the molecular formula of 正丁基氨基甲酸?
The molecular formula of 正丁基氨基甲酸 is C5H11NO2.
What is the molecular weight of 正丁基氨基甲酸?
The molecular weight of 正丁基氨基甲酸 is 117.08 g/mol.
Where can I buy 正丁基氨基甲酸?
You can request a quote for 正丁基氨基甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 正丁基氨基甲酸?
Yes, KEHONG BIO provides custom synthesis services for 正丁基氨基甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.