ChemDiv1_020241
TL;DR: ChemDiv1_020241 (CAS 5309-99-9) is a chemical compound with molecular formula C27H29NO5S2 and molecular weight 511.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,2-bis(propylsulfonyl)pyrrolo[2,1-a]isoquinolin-3-yl]-(2,4-dimethylphenyl)methanone
Also Known As: ChemDiv1_020241, BAS 00672097, [1,2-bis(propylsulfonyl)pyrrolo[2,1-a]isoquinolin-3-yl](2,4-dimethylphenyl)methanone, [1,2-bis(propylsulfonyl)pyrrolo[2,1-a]isoquinolin-3-yl]-(2,4-dimethylphenyl)methanone, A2142/0089911
| Molecular Formula | C27H29NO5S2 |
|---|---|
| Molecular Weight | 511.15 g/mol |
| LogP | 5.30774 |
| Topological Polar Surface Area | 89.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 511.1487 |
| Heavy Atoms | 35 |
| Complexity | 1679.8784 |
Chemical Identifiers
| CAS Number | 5309-99-9 |
|---|---|
| SMILES | CCCS(=O)(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1S(=O)(=O)CCC)C(=O)C4=C(C=C(C=C4)C)C |
Product Overview
ChemDiv1_020241 (CAS 5309-99-9), with molecular formula C27H29NO5S2 and molecular weight 511.15 g/mol. IUPAC: [1,2-bis(propylsulfonyl)pyrrolo[2,1-a]isoquinolin-3-yl]-(2,4-dimethylphenyl)methanone.
Chemical Property Profile of ChemDiv1_020241
Property Insights of ChemDiv1_020241
The XLogP value of 5.30774 indicates that ChemDiv1_020241 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020241. Following Lipinski's Rule of Five, ChemDiv1_020241 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_020241?
The CAS number of ChemDiv1_020241 is 5309-99-9.
What is the molecular formula of ChemDiv1_020241?
The molecular formula of ChemDiv1_020241 is C27H29NO5S2.
What is the molecular weight of ChemDiv1_020241?
The molecular weight of ChemDiv1_020241 is 511.15 g/mol.
Where can I buy ChemDiv1_020241?
You can request a quote for ChemDiv1_020241 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020241?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020241 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.