CAS RN: 1035094-83-7
Rho-Kinase-IN-1
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251013 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1035094-83-7
- Purity/Analytical Methods: >99.0%
1035094-83-7 / N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
Rho-Kinase-IN-1 | N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine | Rho-Kinase-IN-1?
Basic Information
CAS
1035094-83-7
Multi CAS
No
Molecular Formula
C20H24N4S
Molecular Weight
352.500000
Exact Mass
352.172168
SMILES
CSC1=CC=C(C=C1)CN2CCCC(C2)NC3=CC4=C(C=C3)NN=C4
InChI
InChI=1S/C20H24N4S/c1-25-19-7-4-15(5-8-19)13-24-10-2-3-18(14-24)22-17-6-9-20-16(11-17)12-21-23-20/h4-9,11-12,18,22H,2-3,10,13-14H2,1H3,(H,21,23)
InChIKey
DPZSYTMLVCLGRU-UHFFFAOYSA-N
Synonyms
Rho-Kinase-IN-1
N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
Rho-Kinase-IN-1?
SCHEMBL657506
orb1708680
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
106.24
TPSA
43.95
LogP / Solubility
WLOGP
4.36
MLOGP
3.86
XLogP3
4.1
Consensus LogP
4.11
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.17
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
Yes
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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