ChemDiv1_028878
TL;DR: ChemDiv1_028878 (CAS 294866-48-1) is a chemical compound with molecular formula C30H25N3O3 and molecular weight 475.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3aR)-2-(3,4-dimethoxyphenyl)-1-(4-methylbenzoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: ChemDiv1_028878, MixCom3_000014, A0350/0016131, (1S,2S,3AR)-2-(3,4-DIMETHOXYPHENYL)-1-(4-METHYLBENZOYL)-1,2-DIHYDROPYRROLO[1,2-A]QUINOLINE-3,3(3AH)-DICARBONITRILE, (1S,2S,3aR)-2-(3,4-dimethoxyphenyl)-1-(4-methylbenzoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
| Molecular Formula | C30H25N3O3 |
|---|---|
| Molecular Weight | 475.19 g/mol |
| LogP | 5.29648 |
| Topological Polar Surface Area | 86.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.1896 |
| Heavy Atoms | 36 |
| Complexity | 1431.4962 |
Chemical Identifiers
| CAS Number | 294866-48-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)[C@@H]2[C@H](C([C@@H]3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC(=C(C=C5)OC)OC |
Product Overview
ChemDiv1_028878 (CAS 294866-48-1), with molecular formula C30H25N3O3 and molecular weight 475.19 g/mol. IUPAC: (1S,2S,3aR)-2-(3,4-dimethoxyphenyl)-1-(4-methylbenzoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of ChemDiv1_028878
Property Insights of ChemDiv1_028878
The XLogP value of 5.29648 indicates that ChemDiv1_028878 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028878. Following Lipinski's Rule of Five, ChemDiv1_028878 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_028878?
The CAS number of ChemDiv1_028878 is 294866-48-1.
What is the molecular formula of ChemDiv1_028878?
The molecular formula of ChemDiv1_028878 is C30H25N3O3.
What is the molecular weight of ChemDiv1_028878?
The molecular weight of ChemDiv1_028878 is 475.19 g/mol.
Where can I buy ChemDiv1_028878?
You can request a quote for ChemDiv1_028878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028878?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.