3-脱氢奎尼酸
TL;DR: 3-脱氢奎尼酸 (CAS 10534-44-8) is a chemical compound with molecular formula C8H17NO2 and molecular weight 159.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-脱氢奎尼酸
propyl N-tert-butylcarbamate
Also Known As: propyl tert-butylcarbamate, propyl N-tert-butylcarbamate
| Molecular Formula | C8H17NO2 |
|---|---|
| Molecular Weight | 159.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 159.12593 |
| Heavy Atoms | 11 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 10534-44-8 |
|---|---|
| SMILES | CCCOC(=O)NC(C)(C)C |
| InChIKey | IEFOWXXDIVKICC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-脱氢奎尼酸 (CAS 10534-44-8), with molecular formula C8H17NO2 and molecular weight 159.13 g/mol. IUPAC: propyl N-tert-butylcarbamate.
Chemical Property Profile of 3-脱氢奎尼酸
Property Insights of 3-脱氢奎尼酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-脱氢奎尼酸. With a topological polar surface area (TPSA) of 38.3 Ų, 3-脱氢奎尼酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-脱氢奎尼酸 has 1 hydrogen bond donor(s) and 2 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 3-脱氢奎尼酸?
The CAS number of 3-脱氢奎尼酸 is 10534-44-8.
What is the molecular formula of 3-脱氢奎尼酸?
The molecular formula of 3-脱氢奎尼酸 is C8H17NO2.
What is the molecular weight of 3-脱氢奎尼酸?
The molecular weight of 3-脱氢奎尼酸 is 159.13 g/mol.
Where can I buy 3-脱氢奎尼酸?
You can request a quote for 3-脱氢奎尼酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-脱氢奎尼酸?
Yes, KEHONG BIO provides custom synthesis services for 3-脱氢奎尼酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.