CAS RN: 670270-31-2
1-(1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(piperidin-1-yl)ethan-1-one
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.20250204 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS670270-31-2
- Purity/Analytical Methods: >99.0%
670270-31-2 / 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone
Basic Information
CAS
670270-31-2
Multi CAS
No
Molecular Formula
C19H23CLN2O
Molecular Weight
330.800000
Exact Mass
330.149891
InChI
InChI=1S/C19H23ClN2O/c1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17/h6-9,12H,3-5,10-11,13H2,1-2H3
InChIKey
VXQIPRWKLACSKZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
94.87
TPSA
25.24
LogP / Solubility
WLOGP
4.42
MLOGP
3.9
XLogP3
4.3
Consensus LogP
4.21
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.96
Class (SILICOS-IT)
Slightly soluble
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)
-1.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
3-THIOPHENECARBOXYLIC ACID, 2-AMINO-4-(2-FURANYL)-, METHYL ESTER
- CAS RN: 670271-04-2
- Product Code: SSC-176693
-
tert-butyl 4-(4-(trifluoromethoxy)benzoyl)piperidine-1-carboxylate
- CAS RN: 670275-85-1
- Product Code: starshine_CAS670275-85-1
- Purity/Analytical method: >99.0%
-
3-(aminomethyl)benzenesulfonamide hydrochloride
- CAS RN: 670280-13-4
- Product Code: SSC-176695
-
5-[2-(2,4-Dichlorophenoxy)phenyl]-2H-tetrazole
- CAS RN: 671186-08-6
- Product Code: SSC-176761
-
3-(Prop-2-yn-1-ylcarbamoyl)acrylic acid
- CAS RN: 671188-20-8
- Product Code: starshine_CAS671188-20-8
- Purity/Analytical method: >99.0%
-
2,3-BIS(N-BUTYLTHIO)-1,4-NAPHTHALENEDIONE
- CAS RN: 671189-54-1
- Product Code: starshine_CAS671189-54-1
- Purity/Analytical method: >99.0%
![CAS 671186-08-6 5-[2-(2,4-Dichlorophenoxy)phenyl]-2H-tetrazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/671186-08-6.gif)
