CAS RN: 2095-62-7
7-hydroxychlorpromazine
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.20260322 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2095-62-7
- Purity/Analytical Methods: >99.0%
2095-62-7 / 8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-3-ol
Basic Information
CAS
2095-62-7
Multi CAS
No
Molecular Formula
C17H19ClN2OS
Molecular Weight
334.900000
Exact Mass
334.090662
SMILES
CN(C)CCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C17H19ClN2OS/c1-19(2)8-3-9-20-14-6-5-13(21)11-17(14)22-16-7-4-12(18)10-15(16)20/h4-7,10-11,21H,3,8-9H2,1-2H3
InChIKey
HICFFJZGXWEIHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
93.86
TPSA
26.71
LogP / Solubility
WLOGP
4.6
MLOGP
4.06
XLogP3
4.8
Consensus LogP
4.49
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.13
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)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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