![N-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide structure](/static/products/7082/708239-91-2.webp)
N-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide
TL;DR: N-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide (CAS 708239-91-2) is a chemical compound with molecular formula C14H16BrClN2O2S and molecular weight 389.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide
Also Known As: N-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide, (1,4-dioxa-8-azaspiro[4.5]dec-8-yl)[(4-bromo-2-chlorophenyl)amino]methane-1-th ione
| Molecular Formula | C14H16BrClN2O2S |
|---|---|
| Molecular Weight | 389.98 g/mol |
| LogP | 3.6382 |
| Topological Polar Surface Area | 33.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 389.98044 |
| Heavy Atoms | 21 |
| Complexity | 541.7756 |
Chemical Identifiers
| CAS Number | 708239-91-2 |
|---|---|
| SMILES | C1CN(CCC12OCCO2)C(=S)NC3=C(C=C(C=C3)Br)Cl |
Product Overview
N-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide (CAS 708239-91-2), with molecular formula C14H16BrClN2O2S and molecular weight 389.98 g/mol. IUPAC: N-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide.
Chemical Property Profile of N-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide
Property Insights of N-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide
The XLogP value of 3.6382 indicates that N-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-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-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-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-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide?
The CAS number of N-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide is 708239-91-2.
What is the molecular formula of N-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide?
The molecular formula of N-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide is C14H16BrClN2O2S.
What is the molecular weight of N-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide?
The molecular weight of N-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide is 389.98 g/mol.
Where can I buy N-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide?
You can request a quote for N-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromo-2-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.