Carbamic acid, ((1,6-dimethyl-8-beta-ergolinyl)methyl)-, ethyl ester
TL;DR: Carbamic acid, ((1,6-dimethyl-8-beta-ergolinyl)methyl)-, ethyl ester (CAS 1933-68-2) is a chemical compound with molecular formula C20H27N3O2 and molecular weight 341.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]carbamate
Also Known As: ((1,6-Dimethyl-8-beta-ergolinyl)methyl)carbamic acid ethyl ester, Carbamic acid, ((1,6-dimethyl-8-beta-ergolinyl)methyl)-, ethyl ester, ethyl{[(8, A)-1,6-dimethylergolin-8-yl]methyl}carbamate, Ethyl hydrogen [(1,6-dimethylergolin-8-yl)methyl]carbonimidate
| Molecular Formula | C20H27N3O2 |
|---|---|
| Molecular Weight | 341.21 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.21033 |
| Heavy Atoms | 25 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 1933-68-2 |
|---|---|
| SMILES | CCOC(=O)NC[C@@H]1C[C@H]2[C@@H](CC3=CN(C4=CC=CC2=C34)C)N(C1)C |
| InChIKey | QCSUNWHWRGONHJ-FDQGKXFDSA-N |
Product Overview
Carbamic acid, ((1,6-dimethyl-8-beta-ergolinyl)methyl)-, ethyl ester (CAS 1933-68-2), with molecular formula C20H27N3O2 and molecular weight 341.21 g/mol. IUPAC: ethyl N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]carbamate.
Chemical Property Profile of Carbamic acid, ((1,6-dimethyl-8-beta-ergolinyl)methyl)-, ethyl ester
Property Insights of Carbamic acid, ((1,6-dimethyl-8-beta-ergolinyl)methyl)-, ethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, ((1,6-dimethyl-8-beta-ergolinyl)methyl)-, ethyl ester. With a topological polar surface area (TPSA) of 46.5 Ų, Carbamic acid, ((1,6-dimethyl-8-beta-ergolinyl)methyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, ((1,6-dimethyl-8-beta-ergolinyl)methyl)-, ethyl ester has 1 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 Carbamic acid, ((1,6-dimethyl-8-beta-ergolinyl)methyl)-, ethyl ester?
The CAS number of Carbamic acid, ((1,6-dimethyl-8-beta-ergolinyl)methyl)-, ethyl ester is 1933-68-2.
What is the molecular formula of Carbamic acid, ((1,6-dimethyl-8-beta-ergolinyl)methyl)-, ethyl ester?
The molecular formula of Carbamic acid, ((1,6-dimethyl-8-beta-ergolinyl)methyl)-, ethyl ester is C20H27N3O2.
What is the molecular weight of Carbamic acid, ((1,6-dimethyl-8-beta-ergolinyl)methyl)-, ethyl ester?
The molecular weight of Carbamic acid, ((1,6-dimethyl-8-beta-ergolinyl)methyl)-, ethyl ester is 341.21 g/mol.
Where can I buy Carbamic acid, ((1,6-dimethyl-8-beta-ergolinyl)methyl)-, ethyl ester?
You can request a quote for Carbamic acid, ((1,6-dimethyl-8-beta-ergolinyl)methyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, ((1,6-dimethyl-8-beta-ergolinyl)methyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, ((1,6-dimethyl-8-beta-ergolinyl)methyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.