![N-(2-isopropyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)cyclohexanecarboxamide structure](/static/products/899/899376-97-7.png)
N-(2-isopropyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)cyclohexanecarboxamide
TL;DR: N-(2-isopropyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)cyclohexanecarboxamide (CAS 899376-97-7) is a chemical compound with molecular formula C21H29N3O3S and molecular weight 403.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(12,12-dimethyl-3-oxo-5-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)cyclohexanecarboxamide
Also Known As: N-(2-isopropyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)cyclohexanecarboxamide, N-[6,6-dimethyl-4-oxo-2-(propan-2-yl)-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]cyclohexanecarboxamide
| Molecular Formula | C21H29N3O3S |
|---|---|
| Molecular Weight | 403.19 g/mol |
| LogP | 4.0831 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.19296 |
| Heavy Atoms | 28 |
| Complexity | 967.4116 |
Chemical Identifiers
| CAS Number | 899376-97-7 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1NC(=O)C4CCCCC4 |
Product Overview
N-(2-isopropyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)cyclohexanecarboxamide (CAS 899376-97-7), with molecular formula C21H29N3O3S and molecular weight 403.19 g/mol. IUPAC: N-(12,12-dimethyl-3-oxo-5-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)cyclohexanecarboxamide.
Chemical Property Profile of N-(2-isopropyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)cyclohexanecarboxamide
Property Insights of N-(2-isopropyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)cyclohexanecarboxamide
The XLogP value of 4.0831 indicates that N-(2-isopropyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)cyclohexanecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-isopropyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)cyclohexanecarboxamide. Following Lipinski's Rule of Five, N-(2-isopropyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)cyclohexanecarboxamide 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-(2-isopropyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)cyclohexanecarboxamide?
The CAS number of N-(2-isopropyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)cyclohexanecarboxamide is 899376-97-7.
What is the molecular formula of N-(2-isopropyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)cyclohexanecarboxamide?
The molecular formula of N-(2-isopropyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)cyclohexanecarboxamide is C21H29N3O3S.
What is the molecular weight of N-(2-isopropyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)cyclohexanecarboxamide?
The molecular weight of N-(2-isopropyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)cyclohexanecarboxamide is 403.19 g/mol.
Where can I buy N-(2-isopropyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)cyclohexanecarboxamide?
You can request a quote for N-(2-isopropyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)cyclohexanecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-isopropyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)cyclohexanecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-isopropyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)cyclohexanecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.