CAS RN: 750640-97-2
2-piperidin-3-yl-1,3-benzothiazole(SALTDATA: HCl)
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.20260517 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS750640-97-2
- Purity/Analytical Methods: >99.0%
750640-97-2 / 2-piperidin-3-yl-1,3-benzothiazole
Basic Information
CAS
750640-97-2
Multi CAS
Yes
Molecular Formula
C12H14N2S
Molecular Weight
218.320000
Exact Mass
218.087770
InChI
InChI=1S/C12H14N2S/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2
InChIKey
PXPKASSSZWCUJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.46
TPSA
24.92
LogP / Solubility
WLOGP
2.76
MLOGP
2.43
XLogP3
2.5
Consensus LogP
2.56
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
Daphnilongeranin C
- CAS RN: 750649-07-1
- Product Code: starshine_CAS750649-07-1
- Purity/Analytical method: >99.0%
-
-
Carbamic acid,[(1R,3S)-3-hydroxycyclohexyl]-, phenylmethyl ester,rel-
- CAS RN: 750649-40-2
- Product Code: SSC-184582
-
(1R,3R)-3-(((Benzyloxy)Carbonyl)Amino)Cyclohexyl Acetate*
- CAS RN: 750649-42-4
- Product Code: starshine_CAS750649-42-4
- Purity/Analytical method: >99.0%
-
-
1H-Isoindol-1-one,2,3-dihydro-4-methoxy-2-methyl-(9CI)
- CAS RN: 750649-62-8
- Product Code: SSC-184585
![CAS 750649-40-2 Carbamic acid,[(1R,3S)-3-hydroxycyclohexyl]-, phenylmethyl ester,rel- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/750649-40-2.gif)
