![CAS 126492-23-7 1’H-Spiro[cyclohexane-1,2′-quinazoline]-4′-thiol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/126492-23-7.gif)
CAS RN: 126492-23-7
1’H-Spiro[cyclohexane-1,2′-quinazoline]-4′-thiol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250822 | 500mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS126492-23-7
- Purity/Analytical Methods: >99.0%
126492-23-7 / spiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-thione
Basic Information
CAS
126492-23-7
Multi CAS
No
Molecular Formula
C13H16N2S
Molecular Weight
232.350000
Exact Mass
232.103420
SMILES
C1CCC2(CC1)NC3=CC=CC=C3C(=S)N2
InChI
InChI=1S/C13H16N2S/c16-12-10-6-2-3-7-11(10)14-13(15-12)8-4-1-5-9-13/h2-3,6-7,14H,1,4-5,8-9H2,(H,15,16)
InChIKey
OAQXDLBZPHDYGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
H-bond acceptors
2
H-bond donors
2
Molar refractivity
70.72
TPSA
24.06
LogP / Solubility
WLOGP
3.04
MLOGP
2.68
XLogP3
3.3
Consensus LogP
3.01
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
1-(2-bromophenyl)-2-methylpropan-2-ol
- CAS RN: 126495-44-1
- Product Code: starshine_CAS126495-44-1
- Purity/Analytical method: >99.0%
-
(S)-tert-butyl methyl aziridine-1,2-dicarboxylate
- CAS RN: 126496-79-5
- Product Code: SSC-033574
-
N-[(Phenylmethoxy)carbonyl]-D-tryptophan phenylmethyl ester
- CAS RN: 126496-81-9
- Product Code: SSC-033575
-
1-(2,2,2-TRIFLUOROACETYL)-4-PIPERIDINECARBOXYLIC ACID
- CAS RN: 126501-70-0
- Product Code: SSC-033578
-
1-Piperidinecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester
- CAS RN: 126503-04-6
- Product Code: starshine_CAS126503-04-6
- Purity/Analytical method: >99.0%
-
![CAS 126496-81-9 N-[(Phenylmethoxy)carbonyl]-D-tryptophan phenylmethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/126496-81-9.gif)
