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CAS 1270310-78-5 Phenylalanine, 2-chloro-4-methyl- molecular structure lightbox
CAS RN: 1270310-78-5

Phenylalanine, 2-chloro-4-methyl-

  • Product code: SSC-034466
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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: 1g
  • Available purity: ＞97%
  • 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 1270310-78-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1270310-78-5 / 2-amino-3-(2-chloro-4-methylphenyl)propanoic acid

Standard CAS: 1270310-78-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1270310-78-5
Multi CAS
No
Molecular Formula
C10H12ClNO2
Molecular Weight
213.660000
Exact Mass
213.055656
SMILES
CC1=CC(=C(C=C1)CC(C(=O)O)N)Cl
InChI
InChI=1S/C10H12ClNO2/c1-6-2-3-7(8(11)4-6)5-9(12)10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14)
InChIKey
HYFOYEOZSRIHPU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.5
TPSA
63.32

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
-0.4
Consensus LogP
0.87
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.89

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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