C27H17BrClN3O
TL;DR: C27H17BrClN3O (CAS 1005161-07-8) is a chemical compound with molecular formula C27H17BrClN3O and molecular weight 513.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromobenzoyl)-7-chloro-2-phenyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: 1-(3-bromobenzoyl)-7-chloro-2-phenyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, 1-(3-bromobenzoyl)-7-chloro-2-phenyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, 1-[(3-bromophenyl)carbonyl]-7-chloro-2-phenyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
| Molecular Formula | C27H17BrClN3O |
|---|---|
| Molecular Weight | 513.02 g/mol |
| LogP | 6.38676 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 513.02435 |
| Heavy Atoms | 33 |
| Complexity | 1358.1041 |
Chemical Identifiers
| CAS Number | 1005161-07-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(N3C(C2(C#N)C#N)C=CC4=C3C=CC(=C4)Cl)C(=O)C5=CC(=CC=C5)Br |
Product Overview
C27H17BrClN3O (CAS 1005161-07-8), with molecular formula C27H17BrClN3O and molecular weight 513.02 g/mol. IUPAC: 1-(3-bromobenzoyl)-7-chloro-2-phenyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of C27H17BrClN3O
Property Insights of C27H17BrClN3O
The XLogP value of 6.38676 indicates that C27H17BrClN3O 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 C27H17BrClN3O. Following Lipinski's Rule of Five, C27H17BrClN3O 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 C27H17BrClN3O?
The CAS number of C27H17BrClN3O is 1005161-07-8.
What is the molecular formula of C27H17BrClN3O?
The molecular formula of C27H17BrClN3O is C27H17BrClN3O.
What is the molecular weight of C27H17BrClN3O?
The molecular weight of C27H17BrClN3O is 513.02 g/mol.
Where can I buy C27H17BrClN3O?
You can request a quote for C27H17BrClN3O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H17BrClN3O?
Yes, KEHONG BIO provides custom synthesis services for C27H17BrClN3O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.