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CAS 1799434-65-3 (S)-2-((5-Chloro-4-iodopyridin-2-yl)amino)propan-1-ol molecular structure lightbox
CAS RN: 1799434-65-3

(S)-2-((5-Chloro-4-iodopyridin-2-yl)amino)propan-1-ol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260316 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1799434-65-3
  • Purity/Analytical Methods: >99.0%
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1799434-65-3 / (2S)-2-[(5-chloro-4-iodo-2-pyridinyl)amino]propan-1-ol

Standard CAS: 1799434-65-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1799434-65-3
Multi CAS
No
Molecular Formula
C8H10ClIN2O
Molecular Weight
312.530000
Exact Mass
311.952640
SMILES
C[C@@H](CO)NC1=NC=C(C(=C1)I)Cl
InChI
InChI=1S/C8H10ClIN2O/c1-5(4-13)12-8-2-7(10)6(9)3-11-8/h2-3,5,13H,4H2,1H3,(H,11,12)/t5-/m0/s1
InChIKey
CEDNQGKJSNBQPS-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.13
TPSA
45.15

LogP / Solubility

WLOGP
2.13
MLOGP
1.89
XLogP3
2.2
Consensus LogP
2.07
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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