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CAS 13838-08-9 azidamfenicol molecular structure lightbox
CAS RN: 13838-08-9

azidamfenicol

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Batchno.20250924 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS13838-08-9
  • Purity/Analytical Methods: >99.0%
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13838-08-9 / 2-azido-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide

Standard CAS: 13838-08-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13838-08-9
Multi CAS
No
Molecular Formula
C11H13N5O5
Molecular Weight
295.250000
Exact Mass
295.091669
SMILES
C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)CN=[N+]=[N-])O)[N+](=O)[O-]
InChI
InChI=1S/C11H13N5O5/c12-15-13-5-10(18)14-9(6-17)11(19)7-1-3-8(4-2-7)16(20)21/h1-4,9,11,17,19H,5-6H2,(H,14,18)/t9-,11-/m1/s1
InChIKey
SGRUZFCHLOFYHZ-MWLCHTKSSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
71.09
TPSA
161.46

LogP / Solubility

WLOGP
0.42
MLOGP
0.38
XLogP3
1
Consensus LogP
0.6
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
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)
-4.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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