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N-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide
TL;DR: N-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide (CAS 701924-47-2) is a chemical compound with molecular formula C16H22N2O4S and molecular weight 338.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide
Also Known As: N-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide, [(3,4-dimethoxyphenyl)amino](1,4-dioxa-8-azaspiro[4.5]dec-8-yl)methane-1-thion e
| Molecular Formula | C16H22N2O4S |
|---|---|
| Molecular Weight | 338.13 g/mol |
| LogP | 2.2395 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.13004 |
| Heavy Atoms | 23 |
| Complexity | 565.1987 |
Chemical Identifiers
| CAS Number | 701924-47-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=S)N2CCC3(CC2)OCCO3)OC |
Product Overview
N-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide (CAS 701924-47-2), with molecular formula C16H22N2O4S and molecular weight 338.13 g/mol. IUPAC: N-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide.
Chemical Property Profile of N-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide
Property Insights of N-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide
The XLogP value of 2.2395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide. With a topological polar surface area (TPSA) of 52.19 Ų, N-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide has 1 hydrogen bond donor(s) and 5 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-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide?
The CAS number of N-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide is 701924-47-2.
What is the molecular formula of N-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide?
The molecular formula of N-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide is C16H22N2O4S.
What is the molecular weight of N-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide?
The molecular weight of N-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide is 338.13 g/mol.
Where can I buy N-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide?
You can request a quote for N-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.