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CAS 10141-51-2 CP-24879 HYDROCHLORIDE molecular structure lightbox
CAS RN: 10141-51-2

CP-24879 HYDROCHLORIDE

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6 package records4 with current stock2 grade groups
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Batchno.20250128 5mg Out of stock 8-10 business days Inquiry
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Batchno.20250813 100mg In stock Shenzhen Inquiry
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  • Product code: starshine_CAS10141-51-2
  • Purity/Analytical Methods: >99.0%
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10141-51-2 / 4-(3-methylbutoxy)aniline;hydrochloride

CP-24879 hydrochloride | CP 24,879 (hydrochloride) | CP-24879 (hydrochloride)

Standard CAS: 10141-51-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10141-51-2
Multi CAS
No
Molecular Formula
C11H18ClNO
Molecular Weight
215.720000
Exact Mass
215.107692
SMILES
CC(C)CCOC1=CC=C(C=C1)N.Cl
InChI
InChI=1S/C11H17NO.ClH/c1-9(2)7-8-13-11-5-3-10(12)4-6-11;/h3-6,9H,7-8,12H2,1-2H3;1H
InChIKey
GFESZSNFRSACMU-UHFFFAOYSA-N
Synonyms
CP-24879 hydrochloride CP 24,879 (hydrochloride) CP-24879 (hydrochloride) Benzenamine, 4-(3-methylbutoxy)-, hydrochloride (9CI) 4-(3-methylbutoxy)aniline hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.05
TPSA
35.25

LogP / Solubility

WLOGP
3.12
MLOGP
2.74
XLogP3
3.12
Consensus LogP
2.99
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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