TL;DR: Pyrrolo[2,3-b]indole-1,2(2H)-dicarboxylicacid, 3,3a,8,8a-tetrahydro-, dimethyl ester, [2R-(2a,3ab,8ab)]- (9CI) (CAS 136088-17-0) is a chemical compound with molecular formula C14H16N2O4 and molecular weight 276.111 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl (2R,3aS,8bS)-2,3a,4,8b-tetrahydro-1H-pyrrolo[2,3-b]indole-2,3-dicarboxylate
Also Known As: Pyrrolo[2,3-b]indole-1,2(2H)-dicarboxylicacid, 3,3a,8,8a-tetrahydro-, dimethyl ester, [2R-(2a,3ab,8ab)]- (9CI)
| Molecular Formula | C14H16N2O4 |
| Molecular Weight | 276.111 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.111 Da |
| Heavy Atoms | 20 |
| Complexity | 414.0 |
| SMILES | COC(=O)[C@H]1C[C@@H]2[C@H](N1C(=O)OC)NC3=CC=CC=C23 |
| InChIKey | UNJSYLFJPUKBGL-WCQGTBRESA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo[2,3-b]indole-1,2(2H)-dicarboxylicacid, 3,3a,8,8a-tetrahydro-, dimethyl ester, [2R-(2a,3ab,8ab)]- (9CI). The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolo[2,3-b]indole-1,2(2H)-dicarboxylicacid, 3,3a,8,8a-tetrahydro-, dimethyl ester, [2R-(2a,3ab,8ab)]- (9CI). Following Lipinski's Rule of Five, Pyrrolo[2,3-b]indole-1,2(2H)-dicarboxylicacid, 3,3a,8,8a-tetrahydro-, dimethyl ester, [2R-(2a,3ab,8ab)]- (9CI) has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyrrolo[2,3-b]indole-1,2(2H)-dicarboxylicacid, 3,3a,8,8a-tetrahydro-, dimethyl ester, [2R-(2a,3ab,8ab)]- (9CI) is 136088-17-0.
The molecular formula of Pyrrolo[2,3-b]indole-1,2(2H)-dicarboxylicacid, 3,3a,8,8a-tetrahydro-, dimethyl ester, [2R-(2a,3ab,8ab)]- (9CI) is C14H16N2O4.
The molecular weight of Pyrrolo[2,3-b]indole-1,2(2H)-dicarboxylicacid, 3,3a,8,8a-tetrahydro-, dimethyl ester, [2R-(2a,3ab,8ab)]- (9CI) is 276.111 g/mol.
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