AL-281/40838102
TL;DR: AL-281/40838102 (CAS 474376-23-3) is a chemical compound with molecular formula C18H18ClNO3 and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: AL-281/40838102, 5-chloro-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, 5-Chloro-2-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, 5-chloro-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione, Cambridge id 6991451
| Molecular Formula | C18H18ClNO3 |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 2.8181 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.09753 |
| Heavy Atoms | 23 |
| Complexity | 699.262 |
Chemical Identifiers
| CAS Number | 474376-23-3 |
|---|---|
| SMILES | C1COC(C2=CC=CC=C21)CN3C(=O)C4CC=C(CC4C3=O)Cl |
Product Overview
AL-281/40838102 (CAS 474376-23-3), with molecular formula C18H18ClNO3 and molecular weight 331.10 g/mol. IUPAC: 5-chloro-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of AL-281/40838102
Property Insights of AL-281/40838102
The XLogP value of 2.8181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AL-281/40838102. With a topological polar surface area (TPSA) of 46.61 Ų, AL-281/40838102 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AL-281/40838102 has 0 hydrogen bond donor(s) and 3 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 AL-281/40838102?
The CAS number of AL-281/40838102 is 474376-23-3.
What is the molecular formula of AL-281/40838102?
The molecular formula of AL-281/40838102 is C18H18ClNO3.
What is the molecular weight of AL-281/40838102?
The molecular weight of AL-281/40838102 is 331.10 g/mol.
Where can I buy AL-281/40838102?
You can request a quote for AL-281/40838102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AL-281/40838102?
Yes, KEHONG BIO provides custom synthesis services for AL-281/40838102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.