CAS RN: 67227-56-9
Fenoldopam
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.20260404 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS67227-56-9
- Purity/Analytical Methods: >99.0%
67227-56-9 / 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
Basic Information
CAS
67227-56-9
Multi CAS
Yes
Molecular Formula
C16H16CLNO3
Molecular Weight
305.750000
Exact Mass
305.081871
InChI
InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
InChIKey
TVURRHSHRRELCG-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
4
Molar refractivity
81.31
TPSA
72.72
LogP / Solubility
WLOGP
2.73
MLOGP
2.42
XLogP3
2.4
Consensus LogP
2.52
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.04
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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- CAS RN: 67232-81-9
- Product Code: starshine_CAS67232-81-9
- Purity/Analytical method: >99.0%
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![CAS 67232-81-9 1,2-DIHEXADECANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)] SODIUM SALT molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/67232-81-9.gif)
