ChemDiv1_020329
TL;DR: ChemDiv1_020329 (CAS 313377-23-0) is a chemical compound with molecular formula C26H27NO6S2 and molecular weight 513.13 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]-(4-methoxyphenyl)methanone
Also Known As: ChemDiv1_020329, [1,2-bis(propylsulfonyl)pyrrolo[2,1-a]isoquinolin-3-yl](4-methoxyphenyl)methanone, BAS 00672099, [1,2-bis(propylsulfonyl)pyrrolo[2,1-a]isoquinolin-3-yl]-(4-methoxyphenyl)methanone, A2142/0089913
| Molecular Formula | C26H27NO6S2 |
|---|---|
| Molecular Weight | 513.13 g/mol |
| LogP | 4.6995 |
| Topological Polar Surface Area | 98.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 513.128 |
| Heavy Atoms | 35 |
| Complexity | 1632.9911 |
Chemical Identifiers
| CAS Number | 313377-23-0 |
|---|---|
| SMILES | CCCS(=O)(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1S(=O)(=O)CCC)C(=O)C4=CC=C(C=C4)OC |
Product Overview
ChemDiv1_020329 (CAS 313377-23-0), with molecular formula C26H27NO6S2 and molecular weight 513.13 g/mol. IUPAC: [1,2-bis(propylsulfonyl)pyrrolo[2,1-a]isoquinolin-3-yl]-(4-methoxyphenyl)methanone.
Chemical Property Profile of ChemDiv1_020329
Property Insights of ChemDiv1_020329
The XLogP value of 4.6995 indicates that ChemDiv1_020329 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.99 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020329. Following Lipinski's Rule of Five, ChemDiv1_020329 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_020329?
The CAS number of ChemDiv1_020329 is 313377-23-0.
What is the molecular formula of ChemDiv1_020329?
The molecular formula of ChemDiv1_020329 is C26H27NO6S2.
What is the molecular weight of ChemDiv1_020329?
The molecular weight of ChemDiv1_020329 is 513.13 g/mol.
Where can I buy ChemDiv1_020329?
You can request a quote for ChemDiv1_020329 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020329?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020329 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.