TL;DR: SDCCGSBI-0139712.P001 (CAS 1005047-09-5) is a chemical compound with molecular formula C19H21NO3 and molecular weight 311.15213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[(2,6-dimethylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
Also Known As: SDCCGSBI-0139712.P001, 7-[(2,6-dimethylphenyl)carbamoyl]tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid, 7-[N-(2,6-dimethylphenyl)carbamoyl]tricyclo[3.2.2.0<2,4>]non-8-ene-6-carboxyli c acid, 9-((2,6-dimethylphenyl)carbamoyl)tricyclo[3.2.2.0(2,4)]non-6-ene-8-carboxylic acid
| Molecular Formula | C19H21NO3 |
| Molecular Weight | 311.15213 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.15213 Da |
| Heavy Atoms | 23 |
| Complexity | 547.0 |
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C2C3C=CC(C2C(=O)O)C4C3C4 |
| InChIKey | SYDQUWUBPNHBMA-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SDCCGSBI-0139712.P001. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for SDCCGSBI-0139712.P001. Following Lipinski's Rule of Five, SDCCGSBI-0139712.P001 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of SDCCGSBI-0139712.P001 is 1005047-09-5.
The molecular formula of SDCCGSBI-0139712.P001 is C19H21NO3.
The molecular weight of SDCCGSBI-0139712.P001 is 311.15213 g/mol.
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