ChemDiv1_028669
TL;DR: ChemDiv1_028669 (CAS 355115-14-9) is a chemical compound with molecular formula C22H17ClN2O3S and molecular weight 424.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-2-(4-chlorophenyl)-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: ChemDiv1_028669, BAS 01124328, BIM-0035706.P001, 5-benzyl-2-(4-chlorophenyl)-3-(2-thienyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione, 5-benzyl-2-(4-chlorophenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C22H17ClN2O3S |
|---|---|
| Molecular Weight | 424.06 g/mol |
| LogP | 4.4482 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.06485 |
| Heavy Atoms | 29 |
| Complexity | 1039.689 |
Chemical Identifiers
| CAS Number | 355115-14-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Cl)C5=CC=CS5 |
Product Overview
ChemDiv1_028669 (CAS 355115-14-9), with molecular formula C22H17ClN2O3S and molecular weight 424.06 g/mol. IUPAC: 5-benzyl-2-(4-chlorophenyl)-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of ChemDiv1_028669
Property Insights of ChemDiv1_028669
The XLogP value of 4.4482 indicates that ChemDiv1_028669 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, ChemDiv1_028669 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_028669 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 ChemDiv1_028669?
The CAS number of ChemDiv1_028669 is 355115-14-9.
What is the molecular formula of ChemDiv1_028669?
The molecular formula of ChemDiv1_028669 is C22H17ClN2O3S.
What is the molecular weight of ChemDiv1_028669?
The molecular weight of ChemDiv1_028669 is 424.06 g/mol.
Where can I buy ChemDiv1_028669?
You can request a quote for ChemDiv1_028669 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028669?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028669 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.