AB00095931-01
TL;DR: AB00095931-01 (CAS 356568-13-3) is a chemical compound with molecular formula C25H21ClN2O4 and molecular weight 448.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: AB00095931-01, 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, F1065-0338, 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C25H21ClN2O4 |
|---|---|
| Molecular Weight | 448.12 g/mol |
| LogP | 4.70812 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.119 |
| Heavy Atoms | 32 |
| Complexity | 1162.0562 |
Chemical Identifiers
| CAS Number | 356568-13-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)OC |
Product Overview
AB00095931-01 (CAS 356568-13-3), with molecular formula C25H21ClN2O4 and molecular weight 448.12 g/mol. IUPAC: 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of AB00095931-01
Property Insights of AB00095931-01
The XLogP value of 4.70812 indicates that AB00095931-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.08 Ų, AB00095931-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00095931-01 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 AB00095931-01?
The CAS number of AB00095931-01 is 356568-13-3.
What is the molecular formula of AB00095931-01?
The molecular formula of AB00095931-01 is C25H21ClN2O4.
What is the molecular weight of AB00095931-01?
The molecular weight of AB00095931-01 is 448.12 g/mol.
Where can I buy AB00095931-01?
You can request a quote for AB00095931-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00095931-01?
Yes, KEHONG BIO provides custom synthesis services for AB00095931-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.