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CAS 1083089-94-4 (R)-1-(2-Chloro-pyrimidin-4-yl)-pyrrolidin-3-ol molecular structure lightbox
CAS RN: 1083089-94-4

(R)-1-(2-Chloro-pyrimidin-4-yl)-pyrrolidin-3-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250519 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1083089-94-4
  • Purity/Analytical Methods: >99.0%
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1083089-94-4 / (3R)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-ol

1-(2-CHLOROPYRIMIDIN-4-YL)PYRROLIDIN-3-OL | MFCD09750099 | SCHEMBL29074751

Standard CAS: 1083089-94-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1083089-94-4
Multi CAS
Yes
Molecular Formula
C8H10ClN3O
Molecular Weight
199.640000
Exact Mass
199.051240
SMILES
C1CN(C[C@@H]1O)C2=NC(=NC=C2)Cl
InChI
InChI=1S/C8H10ClN3O/c9-8-10-3-1-7(11-8)12-4-2-6(13)5-12/h1,3,6,13H,2,4-5H2/t6-/m1/s1
InChIKey
DLZHVZSXNBBQKW-ZCFIWIBFSA-N
Synonyms
1-(2-CHLOROPYRIMIDIN-4-YL)PYRROLIDIN-3-OL MFCD09750099 SCHEMBL29074751 DTXSID90624517 ITB08994

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.88
TPSA
49.25

LogP / Solubility

WLOGP
0.7
MLOGP
0.62
XLogP3
1.1
Consensus LogP
0.81
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
Class (SILICOS-IT)
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)
-3.44

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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