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CAS 134-90-7 L-(+)-threo-chloramphenicol molecular structure lightbox
CAS RN: 134-90-7

L-(+)-threo-chloramphenicol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260106 5g / 10g / 25g / 50g / 100g / 250g / 500g Confirm by inquiry Shanghai, Shandong, Hebei, Chongqing Inquiry
  • Product code: starshine_CAS134-90-7
  • Purity/Analytical Methods: >99.0%
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134-90-7 / 2,2-dichloro-N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide

Standard CAS: 134-90-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
134-90-7
Multi CAS
No
Molecular Formula
C11H12Cl2N2O5
Molecular Weight
323.130000
Exact Mass
322.012327
SMILES
C1=CC(=CC=C1[C@@H]([C@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
InChI
InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m0/s1
InChIKey
WIIZWVCIJKGZOK-IUCAKERBSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
72.57
TPSA
112.7

LogP / Solubility

WLOGP
0.91
MLOGP
0.81
XLogP3
1.1
Consensus LogP
0.94
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly 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)
-4.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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