AB00115910-01
TL;DR: AB00115910-01 (CAS 354551-26-1) is a chemical compound with molecular formula C17H17ClN2O3 and molecular weight 332.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-acetylanilino)methyl]-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: AB00115910-01, 2-[(4-acetylanilino)methyl]-5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, AL-281/15328344, 2-[(4-acetylanilino)methyl]-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione, 2-{[(4-ACETYLPHENYL)AMINO]METHYL}-5-CHLORO-2,3,3A,4,7,7A-HEXAHYDRO-1H-ISOINDOLE-1,3-DIONE
| Molecular Formula | C17H17ClN2O3 |
|---|---|
| Molecular Weight | 332.09 g/mol |
| LogP | 2.7763 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.09277 |
| Heavy Atoms | 23 |
| Complexity | 696.295 |
Chemical Identifiers
| CAS Number | 354551-26-1 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NCN2C(=O)C3CC=C(CC3C2=O)Cl |
Product Overview
AB00115910-01 (CAS 354551-26-1), with molecular formula C17H17ClN2O3 and molecular weight 332.09 g/mol. IUPAC: 2-[(4-acetylanilino)methyl]-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of AB00115910-01
Property Insights of AB00115910-01
The XLogP value of 2.7763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00115910-01. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00115910-01. Following Lipinski's Rule of Five, AB00115910-01 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 AB00115910-01?
The CAS number of AB00115910-01 is 354551-26-1.
What is the molecular formula of AB00115910-01?
The molecular formula of AB00115910-01 is C17H17ClN2O3.
What is the molecular weight of AB00115910-01?
The molecular weight of AB00115910-01 is 332.09 g/mol.
Where can I buy AB00115910-01?
You can request a quote for AB00115910-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115910-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115910-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.