A1285/0058618
TL;DR: A1285/0058618 (CAS 294635-00-0) is a chemical compound with molecular formula C25H22BrN3O and molecular weight 459.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3aR)-2-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: A1285/0058618, (1S,2S,3aR)-2-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(3-bromophenyl)-10,3a-dihydropyrrolidi no[1,2-a]quinoline-3,3-dicarbonitrile, (1S,2S,3aR)-2-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, (1S,2S,3aR)-2-(3-bromophenyl)-1-pivaloyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
| Molecular Formula | C25H22BrN3O |
|---|---|
| Molecular Weight | 459.09 g/mol |
| LogP | 5.46566 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 459.09464 |
| Heavy Atoms | 30 |
| Complexity | 1118.0583 |
Chemical Identifiers
| CAS Number | 294635-00-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)[C@@H]1[C@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC(=CC=C4)Br |
Product Overview
A1285/0058618 (CAS 294635-00-0), with molecular formula C25H22BrN3O and molecular weight 459.09 g/mol. IUPAC: (1S,2S,3aR)-2-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of A1285/0058618
Property Insights of A1285/0058618
The XLogP value of 5.46566 indicates that A1285/0058618 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.89 Ų falls within the moderate polarity range, balancing permeability and solubility for A1285/0058618. Following Lipinski's Rule of Five, A1285/0058618 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1285/0058618?
The CAS number of A1285/0058618 is 294635-00-0.
What is the molecular formula of A1285/0058618?
The molecular formula of A1285/0058618 is C25H22BrN3O.
What is the molecular weight of A1285/0058618?
The molecular weight of A1285/0058618 is 459.09 g/mol.
Where can I buy A1285/0058618?
You can request a quote for A1285/0058618 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1285/0058618?
Yes, KEHONG BIO provides custom synthesis services for A1285/0058618 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.