![CAS 2360851-29-0 4(3H)-Quinazolinone, 7-(cyclopropylmethoxy)-5-fluoro-2-[[(trans-4-hydroxycyclohexyl)thio]methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2360851-29-0.gif)
CAS RN: 2360851-29-0
4(3H)-Quinazolinone, 7-(cyclopropylmethoxy)-5-fluoro-2-[[(trans-4-hydroxycyclohexyl)thio]methyl]-
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250407 | 1ml | In stock | Inquiry |
- Product code: SSC-114888
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2360851-29-0 / 7-(cyclopropylmethoxy)-5-fluoro-2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one
Basic Information
CAS
2360851-29-0
Multi CAS
No
Molecular Formula
C19H23FN2O3S
Molecular Weight
378.500000
Exact Mass
378.141342
SMILES
C1CC1COC2=CC3=C(C(=C2)F)C(=O)NC(=N3)CSC4CCC(CC4)O
InChI
InChI=1S/C19H23FN2O3S/c20-15-7-13(25-9-11-1-2-11)8-16-18(15)19(24)22-17(21-16)10-26-14-5-3-12(23)4-6-14/h7-8,11-12,14,23H,1-6,9-10H2,(H,21,22,24)
InChIKey
NKZDEFKPZSLQRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.58
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
100.1
TPSA
75.21
LogP / Solubility
WLOGP
3.39
MLOGP
3
XLogP3
2.8
Consensus LogP
3.06
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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