Phenyl-carbamic acid 3-benzothiazol-2-yl-propyl ester
TL;DR: Phenyl-carbamic acid 3-benzothiazol-2-yl-propyl ester (CAS 93331-58-9) is a chemical compound with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)propyl N-phenylcarbamate
Also Known As: (3-benzothiazol-2-ylpropoxy)-N-benzamide, BAS 05229048, Phenyl-carbamic acid 3-benzothiazol-2-yl-propyl ester, 3-(benzo[d]thiazol-2-yl)propyl phenylcarbamate, 3-(1,3-benzothiazol-2-yl)propyl phenylcarbamate
| Molecular Formula | C17H16N2O2S |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 4.4776 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.09326 |
| Heavy Atoms | 22 |
| Complexity | 722.45465 |
Chemical Identifiers
| CAS Number | 93331-58-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)OCCCC2=NC3=CC=CC=C3S2 |
Product Overview
Phenyl-carbamic acid 3-benzothiazol-2-yl-propyl ester (CAS 93331-58-9), with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)propyl N-phenylcarbamate.
Chemical Property Profile of Phenyl-carbamic acid 3-benzothiazol-2-yl-propyl ester
Property Insights of Phenyl-carbamic acid 3-benzothiazol-2-yl-propyl ester
The XLogP value of 4.4776 indicates that Phenyl-carbamic acid 3-benzothiazol-2-yl-propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, Phenyl-carbamic acid 3-benzothiazol-2-yl-propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl-carbamic acid 3-benzothiazol-2-yl-propyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenyl-carbamic acid 3-benzothiazol-2-yl-propyl ester?
The CAS number of Phenyl-carbamic acid 3-benzothiazol-2-yl-propyl ester is 93331-58-9.
What is the molecular formula of Phenyl-carbamic acid 3-benzothiazol-2-yl-propyl ester?
The molecular formula of Phenyl-carbamic acid 3-benzothiazol-2-yl-propyl ester is C17H16N2O2S.
What is the molecular weight of Phenyl-carbamic acid 3-benzothiazol-2-yl-propyl ester?
The molecular weight of Phenyl-carbamic acid 3-benzothiazol-2-yl-propyl ester is 312.09 g/mol.
Where can I buy Phenyl-carbamic acid 3-benzothiazol-2-yl-propyl ester?
You can request a quote for Phenyl-carbamic acid 3-benzothiazol-2-yl-propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl-carbamic acid 3-benzothiazol-2-yl-propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phenyl-carbamic acid 3-benzothiazol-2-yl-propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.