ChemDiv2_005855
TL;DR: ChemDiv2_005855 (CAS 6199-28-6) is a chemical compound with molecular formula C22H30BrN3O3S and molecular weight 495.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-bromo-7-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
Also Known As: ChemDiv2_005855, IDI1_004570, [5-bromo-7-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone, 5-bromo-6-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-1-(cyclopropylcarbonyl)indoline, [5-Bromo-7-(4-cyclohexylpiperazine-1-sulfonyl)-2,3-dihydro-1H-indol-1-yl](cyclopropyl)methanone
| Molecular Formula | C22H30BrN3O3S |
|---|---|
| Molecular Weight | 495.12 g/mol |
| LogP | 3.3872 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 495.11914 |
| Heavy Atoms | 30 |
| Complexity | 933.1913 |
Chemical Identifiers
| CAS Number | 6199-28-6 |
|---|---|
| SMILES | C1CCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC(=CC4=C3N(CC4)C(=O)C5CC5)Br |
Product Overview
ChemDiv2_005855 (CAS 6199-28-6), with molecular formula C22H30BrN3O3S and molecular weight 495.12 g/mol. IUPAC: [5-bromo-7-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone.
Chemical Property Profile of ChemDiv2_005855
Property Insights of ChemDiv2_005855
The XLogP value of 3.3872 indicates that ChemDiv2_005855 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005855. Following Lipinski's Rule of Five, ChemDiv2_005855 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv2_005855?
The CAS number of ChemDiv2_005855 is 6199-28-6.
What is the molecular formula of ChemDiv2_005855?
The molecular formula of ChemDiv2_005855 is C22H30BrN3O3S.
What is the molecular weight of ChemDiv2_005855?
The molecular weight of ChemDiv2_005855 is 495.12 g/mol.
Where can I buy ChemDiv2_005855?
You can request a quote for ChemDiv2_005855 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005855?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005855 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.