AB00100896-01
TL;DR: AB00100896-01 (CAS 473390-99-7) is a chemical compound with molecular formula C24H19ClN2O3 and molecular weight 418.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-2-(4-chlorophenyl)-3-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: AB00100896-01, 5-benzyl-2-(4-chlorophenyl)-3-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, AF-399/37285025, F1065-0511, 5-benzyl-2-(4-chlorophenyl)-3-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C24H19ClN2O3 |
|---|---|
| Molecular Weight | 418.11 g/mol |
| LogP | 4.3867 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.10843 |
| Heavy Atoms | 30 |
| Complexity | 1072.6248 |
Chemical Identifiers
| CAS Number | 473390-99-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5 |
Product Overview
AB00100896-01 (CAS 473390-99-7), with molecular formula C24H19ClN2O3 and molecular weight 418.11 g/mol. IUPAC: 5-benzyl-2-(4-chlorophenyl)-3-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of AB00100896-01
Property Insights of AB00100896-01
The XLogP value of 4.3867 indicates that AB00100896-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, AB00100896-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00100896-01 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 AB00100896-01?
The CAS number of AB00100896-01 is 473390-99-7.
What is the molecular formula of AB00100896-01?
The molecular formula of AB00100896-01 is C24H19ClN2O3.
What is the molecular weight of AB00100896-01?
The molecular weight of AB00100896-01 is 418.11 g/mol.
Where can I buy AB00100896-01?
You can request a quote for AB00100896-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00100896-01?
Yes, KEHONG BIO provides custom synthesis services for AB00100896-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.