C31H21ClN2O3
TL;DR: C31H21ClN2O3 (CAS 1023802-90-5) is a chemical compound with molecular formula C31H21ClN2O3 and molecular weight 504.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-anthracen-9-yl-5-(4-chlorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(anthracen-9-yl)-5-(4-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(anthracen-9-yl)-5-(4-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-anthracen-9-yl-5-(4-chlorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 8-anthracen-9-yl-3-(4-chlorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
| Molecular Formula | C31H21ClN2O3 |
|---|---|
| Molecular Weight | 504.12 g/mol |
| LogP | 6.6975 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 504.12408 |
| Heavy Atoms | 37 |
| Complexity | 1632.3798 |
Chemical Identifiers
| CAS Number | 1023802-90-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)Cl)C5=C6C=CC=CC6=CC7=CC=CC=C75 |
Product Overview
C31H21ClN2O3 (CAS 1023802-90-5), with molecular formula C31H21ClN2O3 and molecular weight 504.12 g/mol. IUPAC: 3-anthracen-9-yl-5-(4-chlorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of C31H21ClN2O3
Property Insights of C31H21ClN2O3
The XLogP value of 6.6975 indicates that C31H21ClN2O3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, C31H21ClN2O3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C31H21ClN2O3 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C31H21ClN2O3?
The CAS number of C31H21ClN2O3 is 1023802-90-5.
What is the molecular formula of C31H21ClN2O3?
The molecular formula of C31H21ClN2O3 is C31H21ClN2O3.
What is the molecular weight of C31H21ClN2O3?
The molecular weight of C31H21ClN2O3 is 504.12 g/mol.
Where can I buy C31H21ClN2O3?
You can request a quote for C31H21ClN2O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H21ClN2O3?
Yes, KEHONG BIO provides custom synthesis services for C31H21ClN2O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.