ChemDiv1_025028
TL;DR: ChemDiv1_025028 (CAS 305383-28-2) 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.
(2R,3R,10bS)-2-(3-bromophenyl)-3-(2,2-dimethylpropanoyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
Also Known As: ChemDiv1_025028, A1285/0058612, (10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-(3-bromophenyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile, (2R,3R,10bS)-2-(3-bromophenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile, (2R,3R,10bS)-2-(3-bromophenyl)-3-(2,2-dimethylpropanoyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
| Molecular Formula | C25H22BrN3O |
|---|---|
| Molecular Weight | 459.09 g/mol |
| LogP | 5.59126 |
| 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 | 305383-28-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)[C@H]1[C@@H](C([C@H]2N1C=CC3=CC=CC=C23)(C#N)C#N)C4=CC(=CC=C4)Br |
Product Overview
ChemDiv1_025028 (CAS 305383-28-2), with molecular formula C25H22BrN3O and molecular weight 459.09 g/mol. IUPAC: (2R,3R,10bS)-2-(3-bromophenyl)-3-(2,2-dimethylpropanoyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile.
Chemical Property Profile of ChemDiv1_025028
Property Insights of ChemDiv1_025028
The XLogP value of 5.59126 indicates that ChemDiv1_025028 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 ChemDiv1_025028. Following Lipinski's Rule of Five, ChemDiv1_025028 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 ChemDiv1_025028?
The CAS number of ChemDiv1_025028 is 305383-28-2.
What is the molecular formula of ChemDiv1_025028?
The molecular formula of ChemDiv1_025028 is C25H22BrN3O.
What is the molecular weight of ChemDiv1_025028?
The molecular weight of ChemDiv1_025028 is 459.09 g/mol.
Where can I buy ChemDiv1_025028?
You can request a quote for ChemDiv1_025028 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025028?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025028 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.