![CAS 1699751-03-5 2H-Pyrimido[2,1-b]benzothiazole, 3,4-dihydro-3-(1-methylethyl)-2-phenyl-, (2R,3S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1699751-03-5.gif)
CAS RN: 1699751-03-5
2H-Pyrimido[2,1-b]benzothiazole, 3,4-dihydro-3-(1-methylethyl)-2-phenyl-, (2R,3S)-
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-074602
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: 1g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1699751-03-5 / (2R,3S)-2-phenyl-3-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole
Basic Information
CAS
1699751-03-5
Multi CAS
No
Molecular Formula
C19H20N2S
Molecular Weight
308.400000
Exact Mass
308.134720
SMILES
CC(C)[C@H]1CN2C3=CC=CC=C3SC2=N[C@H]1C4=CC=CC=C4
InChI
InChI=1S/C19H20N2S/c1-13(2)15-12-21-16-10-6-7-11-17(16)22-19(21)20-18(15)14-8-4-3-5-9-14/h3-11,13,15,18H,12H2,1-2H3/t15-,18+/m1/s1
InChIKey
RPBRMANNSNGNFS-QAPCUYQASA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
94.59
TPSA
15.6
LogP / Solubility
WLOGP
4.98
MLOGP
4.4
XLogP3
4.8
Consensus LogP
4.73
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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