![N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide structure](/static/products/883/883960-49-4.png)
N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide
TL;DR: N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide (CAS 883960-49-4) is a chemical compound with molecular formula C20H21ClN2O2S and molecular weight 388.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline-8-carbothioamide
Also Known As: N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide, N-(3-chloro-2-methylphenyl)-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline-8-carbothioamide
| Molecular Formula | C20H21ClN2O2S |
|---|---|
| Molecular Weight | 388.10 g/mol |
| LogP | 4.56482 |
| Topological Polar Surface Area | 33.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 388.10123 |
| Heavy Atoms | 26 |
| Complexity | 855.94507 |
Chemical Identifiers
| CAS Number | 883960-49-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=S)N2CCC3=CC4=C(C=C3C2)OCCCO4 |
Product Overview
N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide (CAS 883960-49-4), with molecular formula C20H21ClN2O2S and molecular weight 388.10 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline-8-carbothioamide.
Chemical Property Profile of N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide
Property Insights of N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide
The XLogP value of 4.56482 indicates that N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.73 Ų, N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide 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
Frequently Asked Questions
What is the CAS number of N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide?
The CAS number of N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide is 883960-49-4.
What is the molecular formula of N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide?
The molecular formula of N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide is C20H21ClN2O2S.
What is the molecular weight of N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide?
The molecular weight of N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide is 388.10 g/mol.
Where can I buy N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide?
You can request a quote for N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.