CAS RN: 94470-67-4
CROMAKALIM
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.20260311 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS94470-67-4
- Purity/Analytical Methods: >99.0%
94470-67-4 / (3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile
Basic Information
CAS
94470-67-4
Multi CAS
Yes
Molecular Formula
C16H18N2O3
Molecular Weight
286.330000
Exact Mass
286.131742
InChI
InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m0/s1
InChIKey
TVZCRIROJQEVOT-LSDHHAIUSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.56
TPSA
73.56
LogP / Solubility
WLOGP
1.75
MLOGP
1.55
XLogP3
0.8
Consensus LogP
1.37
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
Customers Also Viewed
-
Aquilegiolide
- CAS RN: 94481-79-5
- Product Code: starshine_CAS94481-79-5
- Purity/Analytical method: >99.0%
-
AMYL 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
- CAS RN: 94483-64-4
- Product Code: starshine_CAS94483-64-4
- Purity/Analytical method: >99.0%
-
-
-
7-Prenyljacareubin
- CAS RN: 94513-60-7
- Product Code: starshine_CAS94513-60-7
- Purity/Analytical method: >99.0%
-
