![N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide structure](/static/products/904/904697-56-9.png)
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
TL;DR: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide (CAS 904697-56-9) is a chemical compound with molecular formula C19H25N3O3S and molecular weight 375.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
Also Known As: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)acetamide
| Molecular Formula | C19H25N3O3S |
|---|---|
| Molecular Weight | 375.16 g/mol |
| LogP | 2.66608 |
| Topological Polar Surface Area | 74.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.16165 |
| Heavy Atoms | 26 |
| Complexity | 708.3469 |
Chemical Identifiers
| CAS Number | 904697-56-9 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CN3CCC4(CC3)OCCO4 |
Product Overview
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide (CAS 904697-56-9), with molecular formula C19H25N3O3S and molecular weight 375.16 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide.
Chemical Property Profile of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
Property Insights of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
The XLogP value of 2.66608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide. The TPSA of 74.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide. Following Lipinski's Rule of Five, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide has 1 hydrogen bond donor(s) and 6 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-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The CAS number of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide is 904697-56-9.
What is the molecular formula of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The molecular formula of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide is C19H25N3O3S.
What is the molecular weight of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The molecular weight of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide is 375.16 g/mol.
Where can I buy N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
You can request a quote for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.