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CAS 1198171-62-8 2-(2-chloro-6-morpholino-9H-purin-8-yl)propan-2-ol molecular structure lightbox
CAS RN: 1198171-62-8

2-(2-chloro-6-morpholino-9H-purin-8-yl)propan-2-ol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260204 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-020587
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1198171-62-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1198171-62-8 / 2-(2-chloro-6-morpholin-4-yl-7H-purin-8-yl)propan-2-ol

2-(2-Chloro-6-morpholino-9H-purin-8-yl)propan-2-ol | 2-(2-Chloro-6-morpholino-7H-purin-8-yl)propan-2-ol | MFCD29048732

Standard CAS: 1198171-62-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1198171-62-8
Multi CAS
No
Molecular Formula
C12H16ClN5O2
Molecular Weight
297.740000
Exact Mass
297.099253
SMILES
CC(C)(C1=NC2=C(N1)C(=NC(=N2)Cl)N3CCOCC3)O
InChI
InChI=1S/C12H16ClN5O2/c1-12(2,19)10-14-7-8(15-10)16-11(13)17-9(7)18-3-5-20-6-4-18/h19H,3-6H2,1-2H3,(H,14,15,16,17)
InChIKey
GTRZYZYMRVTUTC-UHFFFAOYSA-N
Synonyms
2-(2-Chloro-6-morpholino-9H-purin-8-yl)propan-2-ol 2-(2-Chloro-6-morpholino-7H-purin-8-yl)propan-2-ol MFCD29048732 SCHEMBL1113965 SCHEMBL30670406

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
74.97
TPSA
87.16

LogP / Solubility

WLOGP
1.07
MLOGP
0.95
XLogP3
0.9
Consensus LogP
0.97
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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