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CAS 1799579-77-3 5-(AMinoMethyl)-4-(2-fluoro-2-propyl)pyriMidine Dihydrochloride molecular structure lightbox
CAS RN: 1799579-77-3

5-(AMinoMethyl)-4-(2-fluoro-2-propyl)pyriMidine Dihydrochloride

  • Product code: SSC-080300
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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: 1g, 0.1g, 0.25g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 1799579-77-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

1799579-77-3 / [4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methanamine;dihydrochloride

Standard CAS: 1799579-77-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1799579-77-3
Multi CAS
No
Molecular Formula
C8H14Cl2FN3
Molecular Weight
242.120000
Exact Mass
241.054881
SMILES
CC(C)(C1=NC=NC=C1CN)F.Cl.Cl
InChI
InChI=1S/C8H12FN3.2ClH/c1-8(2,9)7-6(3-10)4-11-5-12-7;;/h4-5H,3,10H2,1-2H3;2*1H
InChIKey
QXZJBJNSBHANCY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.55
TPSA
51.8

LogP / Solubility

WLOGP
1.98
MLOGP
1.75
XLogP3
1.98
Consensus LogP
1.9
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-2.79

Drug-likeness / Medicinal Chemistry

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

Applications of CAS 1799579-77-3

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1799579-77-3 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.

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