BAS 02800629
TL;DR: BAS 02800629 (CAS 431077-01-9) is a chemical compound with molecular formula C17H16ClNO2 and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-4-methylphenyl)-2-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: BAS 02800629, 2-(3-chloro-4-methylphenyl)-3a-methyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 4-(3-chloro-4-methylphenyl)-2-methyl-4-azatricyclo[5.2.1.0(2),?]dec-8-ene-3,5-dione, 4-(3-chloro-4-methylphenyl)-2-methyl-4-azatricyclo[5.2.1.0<2,6>]dec-8-ene-3,5- dione, 4-(3-chloro-4-methylphenyl)-2-methyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
| Molecular Formula | C17H16ClNO2 |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 3.35002 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.08694 |
| Heavy Atoms | 21 |
| Complexity | 710.7417 |
Chemical Identifiers
| CAS Number | 431077-01-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)C3C4CC(C3(C2=O)C)C=C4)Cl |
Product Overview
BAS 02800629 (CAS 431077-01-9), with molecular formula C17H16ClNO2 and molecular weight 301.09 g/mol. IUPAC: 4-(3-chloro-4-methylphenyl)-2-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of BAS 02800629
Property Insights of BAS 02800629
The XLogP value of 3.35002 indicates that BAS 02800629 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, BAS 02800629 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02800629 has 0 hydrogen bond donor(s) and 2 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 BAS 02800629?
The CAS number of BAS 02800629 is 431077-01-9.
What is the molecular formula of BAS 02800629?
The molecular formula of BAS 02800629 is C17H16ClNO2.
What is the molecular weight of BAS 02800629?
The molecular weight of BAS 02800629 is 301.09 g/mol.
Where can I buy BAS 02800629?
You can request a quote for BAS 02800629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02800629?
Yes, KEHONG BIO provides custom synthesis services for BAS 02800629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.