1H-Indole-1-carboxylic acid, phenylmethyl ester
TL;DR: 1H-Indole-1-carboxylic acid, phenylmethyl ester (CAS 109241-98-7) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl indole-1-carboxylate
Also Known As: N-cbz-indole, Benzyl 1H-indole-1-carboxylate, Benzyl Indole-1-carboxylate, 1-Benzyloxycarbonyl-1H-indole, 1H-Indole-1-carboxylic acid, phenylmethyl ester
Technical Specifications
| Molecular Formula | C16H13NO2 |
| Molecular Weight | 251.09464 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.09464 Da |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)N2C=CC3=CC=CC=C32 |
| InChIKey | KLKXDCLMQFFCQO-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Indole-1-carboxylic acid, phenylmethyl ester
Property Insights of 1H-Indole-1-carboxylic acid, phenylmethyl ester
The XLogP value of 3.8 indicates that 1H-Indole-1-carboxylic acid, phenylmethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.2 Ų, 1H-Indole-1-carboxylic acid, phenylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-1-carboxylic acid, phenylmethyl ester 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
What is the CAS number of 1H-Indole-1-carboxylic acid, phenylmethyl ester?
The CAS number of 1H-Indole-1-carboxylic acid, phenylmethyl ester is 109241-98-7.
What is the molecular formula of 1H-Indole-1-carboxylic acid, phenylmethyl ester?
The molecular formula of 1H-Indole-1-carboxylic acid, phenylmethyl ester is C16H13NO2.
What is the molecular weight of 1H-Indole-1-carboxylic acid, phenylmethyl ester?
The molecular weight of 1H-Indole-1-carboxylic acid, phenylmethyl ester is 251.09464 g/mol.
Where can I buy 1H-Indole-1-carboxylic acid, phenylmethyl ester?
You can request a quote for 1H-Indole-1-carboxylic acid, phenylmethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Indole-1-carboxylic acid, phenylmethyl ester?
Yes, CoreyChem provides custom synthesis services for 1H-Indole-1-carboxylic acid, phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.