![(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate structure](/static/products/6919/69195-76-2.webp)
(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate
TL;DR: (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate (CAS 69195-76-2) is a chemical compound with molecular formula C19H20ClNO2S and molecular weight 361.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate
Also Known As: (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate, 8-Chloro-10-(tert-butylaminocarbonyloxy)-10,11-dihydrodibenzo(b,f)thiepin, AE-641/30117036, 8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl (1,1-dimethylethyl)carbamate, Carbamic acid, (1,1-dimethylethyl)-, 8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl ester
| Molecular Formula | C19H20ClNO2S |
|---|---|
| Molecular Weight | 361.09 g/mol |
| LogP | 5.6131 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 361.09033 |
| Heavy Atoms | 24 |
| Complexity | 770.2024 |
Chemical Identifiers
| CAS Number | 69195-76-2 |
|---|---|
| SMILES | CC(C)(C)NC(=O)OC1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl |
Product Overview
(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate (CAS 69195-76-2), with molecular formula C19H20ClNO2S and molecular weight 361.09 g/mol. IUPAC: (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate.
Chemical Property Profile of (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate
Property Insights of (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate
The XLogP value of 5.6131 indicates that (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate?
The CAS number of (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate is 69195-76-2.
What is the molecular formula of (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate?
The molecular formula of (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate is C19H20ClNO2S.
What is the molecular weight of (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate?
The molecular weight of (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate is 361.09 g/mol.
Where can I buy (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate?
You can request a quote for (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) N-tert-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.