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CAS 1145-56-8 N-Chloroacetyl-L-tyrosine molecular structure lightbox
CAS RN: 1145-56-8

N-Chloroacetyl-L-tyrosine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250412 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-014262
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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: ＞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 1145-56-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

1145-56-8 / (2S)-2-[(2-chloroacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid

EINECS 214-544-3 | NSC 523824 | RefChem:829497

Standard CAS: 1145-56-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1145-56-8
Multi CAS
Yes
Molecular Formula
C11H12ClNO4
Molecular Weight
257.670000
Exact Mass
257.045486
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)CCl)O
InChI
InChI=1S/C11H12ClNO4/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6H2,(H,13,15)(H,16,17)/t9-/m0/s1
InChIKey
GDOGSOZOUAVIFX-VIFPVBQESA-N
Synonyms
EINECS 214-544-3 NSC 523824 RefChem:829497 214-544-3 N-chloroacetyl-L-tyrosine

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
62.1
TPSA
86.63

LogP / Solubility

WLOGP
0.74
MLOGP
0.66
XLogP3
0.4
Consensus LogP
0.6
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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