AB00090222-01
TL;DR: AB00090222-01 (CAS 339334-81-5) is a chemical compound with molecular formula C15H12BrNO4 and molecular weight 348.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromophenyl)-7-(hydroxymethyl)-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione
Also Known As: AB00090222-01, A1549/0067415, 2-(3-bromophenyl)-4-(hydroxymethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione, 2-(3-bromophenyl)-7-(hydroxymethyl)-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione, 2-(3-bromophenyl)-7-(hydroxymethyl)-4,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindole-1,3-dione
| Molecular Formula | C15H12BrNO4 |
|---|---|
| Molecular Weight | 348.99 g/mol |
| LogP | 1.2544 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.99496 |
| Heavy Atoms | 21 |
| Complexity | 688.0061 |
Chemical Identifiers
| CAS Number | 339334-81-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)N2C(=O)C3C4C=CC(C3C2=O)(O4)CO |
Product Overview
AB00090222-01 (CAS 339334-81-5), with molecular formula C15H12BrNO4 and molecular weight 348.99 g/mol. IUPAC: 2-(3-bromophenyl)-7-(hydroxymethyl)-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione.
Chemical Property Profile of AB00090222-01
Property Insights of AB00090222-01
The XLogP value of 1.2544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00090222-01. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00090222-01. Following Lipinski's Rule of Five, AB00090222-01 has 1 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 AB00090222-01?
The CAS number of AB00090222-01 is 339334-81-5.
What is the molecular formula of AB00090222-01?
The molecular formula of AB00090222-01 is C15H12BrNO4.
What is the molecular weight of AB00090222-01?
The molecular weight of AB00090222-01 is 348.99 g/mol.
Where can I buy AB00090222-01?
You can request a quote for AB00090222-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00090222-01?
Yes, KEHONG BIO provides custom synthesis services for AB00090222-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.