![6'-methyl-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-pyrido[4,3-d]pyrimidin]-4'(3'H)-one structure](/static/products/916/91680-20-5.png)
6'-methyl-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-pyrido[4,3-d]pyrimidin]-4'(3'H)-one
TL;DR: 6'-methyl-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-pyrido[4,3-d]pyrimidin]-4'(3'H)-one (CAS 91680-20-5) is a chemical compound with molecular formula C13H21N3O and molecular weight 235.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylspiro[3,5,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,1'-cyclohexane]-4-one
Also Known As: 6'-methyl-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-pyrido[4,3-d]pyrimidin]-4'(3'H)-one, 5',6',7',8'-Tetrahydro-6'-methylspiro[cyclohexane-1,2'(1'H)-pyrido[4,3-d]pyrimidin]-4'(3'H)-one, 6-methylspiro[3,5,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,1'-cyclohexane]-4-one, Pyrido[4,3-d]pyrimidin-4(3H)-one, 1,2,5,6,7,8-hexahydro-6-methyl-spiro-2-cyclohexane-, 5',6',7',8'-Tetrahydro-6'-methylspiro(cyclohexane-1,2'(1'H)-pyrido(4,3-d)pyrimidin)-4'(3'H)-one
| Molecular Formula | C13H21N3O |
|---|---|
| Molecular Weight | 235.17 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.16846 |
| Heavy Atoms | 17 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 91680-20-5 |
|---|---|
| SMILES | CN1CCC2=C(C1)C(=O)NC3(N2)CCCCC3 |
| InChIKey | CXJMPLVBRGXXRH-UHFFFAOYSA-N |
Product Overview
6'-methyl-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-pyrido[4,3-d]pyrimidin]-4'(3'H)-one (CAS 91680-20-5), with molecular formula C13H21N3O and molecular weight 235.17 g/mol. IUPAC: 6-methylspiro[3,5,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,1'-cyclohexane]-4-one.
Chemical Property Profile of 6'-methyl-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-pyrido[4,3-d]pyrimidin]-4'(3'H)-one
Property Insights of 6'-methyl-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-pyrido[4,3-d]pyrimidin]-4'(3'H)-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6'-methyl-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-pyrido[4,3-d]pyrimidin]-4'(3'H)-one. With a topological polar surface area (TPSA) of 44.4 Ų, 6'-methyl-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-pyrido[4,3-d]pyrimidin]-4'(3'H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6'-methyl-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-pyrido[4,3-d]pyrimidin]-4'(3'H)-one has 2 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 6'-methyl-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-pyrido[4,3-d]pyrimidin]-4'(3'H)-one?
The CAS number of 6'-methyl-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-pyrido[4,3-d]pyrimidin]-4'(3'H)-one is 91680-20-5.
What is the molecular formula of 6'-methyl-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-pyrido[4,3-d]pyrimidin]-4'(3'H)-one?
The molecular formula of 6'-methyl-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-pyrido[4,3-d]pyrimidin]-4'(3'H)-one is C13H21N3O.
What is the molecular weight of 6'-methyl-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-pyrido[4,3-d]pyrimidin]-4'(3'H)-one?
The molecular weight of 6'-methyl-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-pyrido[4,3-d]pyrimidin]-4'(3'H)-one is 235.17 g/mol.
Where can I buy 6'-methyl-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-pyrido[4,3-d]pyrimidin]-4'(3'H)-one?
You can request a quote for 6'-methyl-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-pyrido[4,3-d]pyrimidin]-4'(3'H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6'-methyl-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-pyrido[4,3-d]pyrimidin]-4'(3'H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6'-methyl-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-pyrido[4,3-d]pyrimidin]-4'(3'H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.