炔己蚁胺
TL;DR: 炔己蚁胺 (CAS 126-52-3) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
炔己蚁胺
(1-ethynylcyclohexyl) carbamate
Also Known As: ethinamate, Valmid, Ethinamat, Valmidate, Valamin
| Molecular Formula | C9H13NO2 |
|---|---|
| Molecular Weight | 167.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.09464 |
| Heavy Atoms | 12 |
| Complexity | 220.0 |
| Melting Point | 94-96 |
| Boiling Point | 120 |
| Solubility | 2500 |
| Refractive Index | 1.530 ALPHA, 1.536 BETA, 1.546 GAMMA; OPTIC SIGN + |
Chemical Identifiers
| CAS Number | 126-52-3 |
|---|---|
| SMILES | C#CC1(CCCCC1)OC(=O)N |
| InChIKey | GXRZIMHKGDIBEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
炔己蚁胺 (CAS 126-52-3), with molecular formula C9H13NO2 and molecular weight 167.09 g/mol. IUPAC: (1-ethynylcyclohexyl) carbamate.
Chemical Property Profile of 炔己蚁胺
Property Insights of 炔己蚁胺
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 炔己蚁胺. With a topological polar surface area (TPSA) of 52.3 Ų, 炔己蚁胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 炔己蚁胺 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 炔己蚁胺?
The CAS number of 炔己蚁胺 is 126-52-3.
What is the molecular formula of 炔己蚁胺?
The molecular formula of 炔己蚁胺 is C9H13NO2.
What is the molecular weight of 炔己蚁胺?
The molecular weight of 炔己蚁胺 is 167.09 g/mol.
Where can I buy 炔己蚁胺?
You can request a quote for 炔己蚁胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 炔己蚁胺?
Yes, KEHONG BIO provides custom synthesis services for 炔己蚁胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.