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CAS 1217607-63-0 H-2,6-Difluoro-Phe-OH · HCl molecular structure lightbox
CAS RN: 1217607-63-0

H-2,6-Difluoro-Phe-OH · HCl

  • Product code: SSC-024443
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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, 10g
  • 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 1217607-63-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry
10g >95% 0 Out of Stock Shanghai Inquiry

1217607-63-0 / (2S)-2-amino-3-(2,6-difluorophenyl)propanoic acid;hydrochloride

Standard CAS: 1217607-63-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217607-63-0
Multi CAS
No
Molecular Formula
C9H10ClF2NO2
Molecular Weight
237.630000
Exact Mass
237.036813
SMILES
C1=CC(=C(C(=C1)F)C[C@@H](C(=O)O)N)F.Cl
InChI
InChI=1S/C9H9F2NO2.ClH/c10-6-2-1-3-7(11)5(6)4-8(12)9(13)14;/h1-3,8H,4,12H2,(H,13,14);1H/t8-;/m0./s1
InChIKey
QJXREVDYHTWMNF-QRPNPIFTSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.92
TPSA
63.32

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
1.34
Consensus LogP
1.29
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-3.22

Drug-likeness / Medicinal Chemistry

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

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