GPER antagonist
TL;DR: GPER antagonist (CAS 1161002-05-6) is a chemical compound with molecular formula C19H16BrNO2 and molecular weight 369.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4R,9bS)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Also Known As: GPER antagonist, G-15, (3aR,4R,9bS)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline, (3aR,4R,9bS)-4-(6-Bromo-2H-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline, (3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
| Molecular Formula | C19H16BrNO2 |
|---|---|
| Molecular Weight | 369.04 g/mol |
| LogP | 5.0043 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 369.03644 |
| Heavy Atoms | 23 |
| Complexity | 817.0121 |
Chemical Identifiers
| CAS Number | 1161002-05-6 |
|---|---|
| SMILES | C1C=C[C@H]2[C@@H]1[C@@H](NC3=CC=CC=C23)C4=CC5=C(C=C4Br)OCO5 |
Product Overview
GPER antagonist (CAS 1161002-05-6), with molecular formula C19H16BrNO2 and molecular weight 369.04 g/mol. IUPAC: (3aR,4R,9bS)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.
Chemical Property Profile of GPER antagonist
Property Insights of GPER antagonist
The XLogP value of 5.0043 indicates that GPER antagonist is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, GPER antagonist exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, GPER antagonist has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of GPER antagonist?
The CAS number of GPER antagonist is 1161002-05-6.
What is the molecular formula of GPER antagonist?
The molecular formula of GPER antagonist is C19H16BrNO2.
What is the molecular weight of GPER antagonist?
The molecular weight of GPER antagonist is 369.04 g/mol.
Where can I buy GPER antagonist?
You can request a quote for GPER antagonist directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for GPER antagonist?
Yes, KEHONG BIO provides custom synthesis services for GPER antagonist and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.