Carbamic acid, methyl-, 7-methylbenzo(b)thien-4-yl ester
TL;DR: Carbamic acid, methyl-, 7-methylbenzo(b)thien-4-yl ester (CAS 13687-28-0) is a chemical compound with molecular formula C11H11NO2S and molecular weight 221.05106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7-methyl-1-benzothiophen-4-yl) N-methylcarbamate
Also Known As: Mobil MC-181, starbld0010136, ENT 27,384, Carbamic acid, methyl-, 7-methylbenzo(b)thien-4-yl ester, AI3-27384
Technical Specifications
| Molecular Formula | C11H11NO2S |
| Molecular Weight | 221.05106 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 66.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.05106 Da |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
| SMILES | CC1=C2C(=C(C=C1)OC(=O)NC)C=CS2 |
| InChIKey | DQGSHBBIHDXYSZ-UHFFFAOYSA-N |
Chemical Property Profile of Carbamic acid, methyl-, 7-methylbenzo(b)thien-4-yl ester
Property Insights of Carbamic acid, methyl-, 7-methylbenzo(b)thien-4-yl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, methyl-, 7-methylbenzo(b)thien-4-yl ester. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, methyl-, 7-methylbenzo(b)thien-4-yl ester. Following Lipinski's Rule of Five, Carbamic acid, methyl-, 7-methylbenzo(b)thien-4-yl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carbamic acid, methyl-, 7-methylbenzo(b)thien-4-yl ester?
The CAS number of Carbamic acid, methyl-, 7-methylbenzo(b)thien-4-yl ester is 13687-28-0.
What is the molecular formula of Carbamic acid, methyl-, 7-methylbenzo(b)thien-4-yl ester?
The molecular formula of Carbamic acid, methyl-, 7-methylbenzo(b)thien-4-yl ester is C11H11NO2S.
What is the molecular weight of Carbamic acid, methyl-, 7-methylbenzo(b)thien-4-yl ester?
The molecular weight of Carbamic acid, methyl-, 7-methylbenzo(b)thien-4-yl ester is 221.05106 g/mol.
Where can I buy Carbamic acid, methyl-, 7-methylbenzo(b)thien-4-yl ester?
You can request a quote for Carbamic acid, methyl-, 7-methylbenzo(b)thien-4-yl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamic acid, methyl-, 7-methylbenzo(b)thien-4-yl ester?
Yes, CoreyChem provides custom synthesis services for Carbamic acid, methyl-, 7-methylbenzo(b)thien-4-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.