Eseramine
TL;DR: Eseramine (CAS 6091-57-2) is a chemical compound with molecular formula C16H22N4O3 and molecular weight 318.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aS,8bS)-4,8b-dimethyl-3-(methylcarbamoyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
Also Known As: Eseramine, (-)-eseramine, Ethyl 2-bromobenzoate, ESERAMINE, (-)-, [(3aS,8bS)-4,8b-dimethyl-3-(methylcarbamoyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
| Molecular Formula | C16H22N4O3 |
|---|---|
| Molecular Weight | 318.17 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.1692 |
| Heavy Atoms | 23 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 6091-57-2 |
|---|---|
| SMILES | C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C(=O)NC |
| InChIKey | PYEMNABYODPRPP-BBRMVZONSA-N |
Product Overview
Eseramine (CAS 6091-57-2), with molecular formula C16H22N4O3 and molecular weight 318.17 g/mol. IUPAC: [(3aS,8bS)-4,8b-dimethyl-3-(methylcarbamoyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate.
Chemical Property Profile of Eseramine
Property Insights of Eseramine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Eseramine. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Eseramine. Following Lipinski's Rule of Five, Eseramine has 2 hydrogen bond donor(s) and 4 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 Eseramine?
The CAS number of Eseramine is 6091-57-2.
What is the molecular formula of Eseramine?
The molecular formula of Eseramine is C16H22N4O3.
What is the molecular weight of Eseramine?
The molecular weight of Eseramine is 318.17 g/mol.
Where can I buy Eseramine?
You can request a quote for Eseramine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eseramine?
Yes, KEHONG BIO provides custom synthesis services for Eseramine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.