ChemDiv2_004833
TL;DR: ChemDiv2_004833 (CAS 1005272-79-6) is a chemical compound with molecular formula C22H22BrN3O3 and molecular weight 455.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-5-cyclohexyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: ChemDiv2_004833, IDI1_003548, 2-(4-bromophenyl)-5-cyclohexyl-3-(3-pyridinyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione, AP-906/41928375, 2-(4-bromophenyl)-5-cyclohexyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C22H22BrN3O3 |
|---|---|
| Molecular Weight | 455.08 g/mol |
| LogP | 4.0233 |
| Topological Polar Surface Area | 62.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.08444 |
| Heavy Atoms | 29 |
| Complexity | 914.65955 |
Chemical Identifiers
| CAS Number | 1005272-79-6 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Br)C5=CN=CC=C5 |
Product Overview
ChemDiv2_004833 (CAS 1005272-79-6), with molecular formula C22H22BrN3O3 and molecular weight 455.08 g/mol. IUPAC: 2-(4-bromophenyl)-5-cyclohexyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of ChemDiv2_004833
Property Insights of ChemDiv2_004833
The XLogP value of 4.0233 indicates that ChemDiv2_004833 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.74 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004833. Following Lipinski's Rule of Five, ChemDiv2_004833 has 0 hydrogen bond donor(s) and 5 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_004833?
The CAS number of ChemDiv2_004833 is 1005272-79-6.
What is the molecular formula of ChemDiv2_004833?
The molecular formula of ChemDiv2_004833 is C22H22BrN3O3.
What is the molecular weight of ChemDiv2_004833?
The molecular weight of ChemDiv2_004833 is 455.08 g/mol.
Where can I buy ChemDiv2_004833?
You can request a quote for ChemDiv2_004833 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004833?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004833 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.