TL;DR: Carbamic acid, methyl-, 9-methyl-9H-pyrido(3,4-b)indol-7-yl ester, hydrochloride (CAS 63982-13-8) is a chemical compound with molecular formula C14H14ClN3O2 and molecular weight 291.07745 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(9-methyl-9H-pyrido[3,4-b]indol-9-ium-7-yl) N-methylcarbamate chloride
Also Known As: Methylcarbamic ester of harmol hydrochloride, Carbamic acid, N-methyl ester of harmol hydrochloride, Methylcarbamic acid 9-methyl-9H-pyrido(3,4-b)indol-7-yl ester hydrochloride, Carbamic acid, methyl-, 9-methyl-9H-pyrido(3,4-b)indol-7-yl ester, hydrochloride, 9H-Pyrido(3,4-b)indole, 7-(N-methylcarbamoyloxy)-9-methyl-, hydrochloride
| Molecular Formula | C14H14ClN3O2 |
| Molecular Weight | 291.07745 g/mol |
| XLogP | -1.74 |
| Topological Polar Surface Area (TPSA) | 55.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.07745 Da |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
| SMILES | CNC(=O)OC1=CC2=C(C=C1)C3=C([NH+]2C)C=NC=C3.[Cl-] |
| InChIKey | QJMRYEQQKALAIQ-UHFFFAOYSA-N |
The XLogP value of -1.74 indicates that Carbamic acid, methyl-, 9-methyl-9H-pyrido(3,4-b)indol-7-yl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.7 Ų, Carbamic acid, methyl-, 9-methyl-9H-pyrido(3,4-b)indol-7-yl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, methyl-, 9-methyl-9H-pyrido(3,4-b)indol-7-yl ester, hydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Carbamic acid, methyl-, 9-methyl-9H-pyrido(3,4-b)indol-7-yl ester, hydrochloride is 63982-13-8.
The molecular formula of Carbamic acid, methyl-, 9-methyl-9H-pyrido(3,4-b)indol-7-yl ester, hydrochloride is C14H14ClN3O2.
The molecular weight of Carbamic acid, methyl-, 9-methyl-9H-pyrido(3,4-b)indol-7-yl ester, hydrochloride is 291.07745 g/mol.
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