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CAS 22177-99-7 4-(6-CHLORO-2-METHYLPYRIMIDIN-4-YL)MORPHOLINE molecular structure lightbox
CAS RN: 22177-99-7

4-(6-CHLORO-2-METHYLPYRIMIDIN-4-YL)MORPHOLINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250919 100mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-106679
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 22177-99-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry

22177-99-7 / 4-(6-chloro-2-methylpyrimidin-4-yl)morpholine

Standard CAS: 22177-99-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22177-99-7
Multi CAS
No
Molecular Formula
C9H12ClN3O
Molecular Weight
213.660000
Exact Mass
213.066890
SMILES
CC1=NC(=CC(=N1)Cl)N2CCOCC2
InChI
InChI=1S/C9H12ClN3O/c1-7-11-8(10)6-9(12-7)13-2-4-14-5-3-13/h6H,2-5H2,1H3
InChIKey
UPGDYMACJFZROW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
54.81
TPSA
38.25

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
1.6
Consensus LogP
1.33
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately 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)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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