![8a'-hydroxyhexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione structure](/static/products/331/331276-98-3.png)
8a'-hydroxyhexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione
TL;DR: 8a'-hydroxyhexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione (CAS 331276-98-3) is a chemical compound with molecular formula C13H22N2OS and molecular weight 254.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8a-hydroxyspiro[3,4a,5,6,7,8-hexahydro-1H-quinazoline-4,1'-cyclohexane]-2-thione
Also Known As: BAS 00381720, 8a'-hydroxyhexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione, 8a-hydroxyspiro[3,4a,5,6,7,8-hexahydro-1H-quinazoline-4,1'-cyclohexane]-2-thione, 8'a-hydroxy-1',2',3',4',5',6',7',8'-octahydrospiro(cyclohexane-1,4'-quinazoline)-2'(1'H)-thione
| Molecular Formula | C13H22N2OS |
|---|---|
| Molecular Weight | 254.15 g/mol |
| LogP | 2.0458 |
| Topological Polar Surface Area | 44.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 254.14528 |
| Heavy Atoms | 17 |
| Complexity | 327.38116 |
Chemical Identifiers
| CAS Number | 331276-98-3 |
|---|---|
| SMILES | C1CCC2(CC1)C3CCCCC3(NC(=S)N2)O |
Product Overview
8a'-hydroxyhexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione (CAS 331276-98-3), with molecular formula C13H22N2OS and molecular weight 254.15 g/mol. IUPAC: 8a-hydroxyspiro[3,4a,5,6,7,8-hexahydro-1H-quinazoline-4,1'-cyclohexane]-2-thione.
Chemical Property Profile of 8a'-hydroxyhexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione
Property Insights of 8a'-hydroxyhexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione
The XLogP value of 2.0458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8a'-hydroxyhexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione. With a topological polar surface area (TPSA) of 44.29 Ų, 8a'-hydroxyhexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8a'-hydroxyhexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione has 3 hydrogen bond donor(s) and 2 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 8a'-hydroxyhexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione?
The CAS number of 8a'-hydroxyhexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione is 331276-98-3.
What is the molecular formula of 8a'-hydroxyhexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione?
The molecular formula of 8a'-hydroxyhexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione is C13H22N2OS.
What is the molecular weight of 8a'-hydroxyhexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione?
The molecular weight of 8a'-hydroxyhexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione is 254.15 g/mol.
Where can I buy 8a'-hydroxyhexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione?
You can request a quote for 8a'-hydroxyhexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8a'-hydroxyhexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 8a'-hydroxyhexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.