CAS RN: 23214-93-9
chloramphenicol 1-acetate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250607 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS23214-93-9
- Purity/Analytical Methods: >99.0%
23214-93-9 / [(1R,2R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl] acetate
Basic Information
CAS
23214-93-9
Multi CAS
No
Molecular Formula
C13H14Cl2N2O6
Molecular Weight
365.160000
Exact Mass
364.022892
SMILES
CC(=O)O[C@H](C1=CC=C(C=C1)[N+](=O)[O-])[C@@H](CO)NC(=O)C(Cl)Cl
InChI
InChI=1S/C13H14Cl2N2O6/c1-7(19)23-11(10(6-18)16-13(20)12(14)15)8-2-4-9(5-3-8)17(21)22/h2-5,10-12,18H,6H2,1H3,(H,16,20)/t10-,11-/m1/s1
InChIKey
WEYAPUCXWINQDH-GHMZBOCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
82.11
TPSA
118.77
LogP / Solubility
WLOGP
1.48
MLOGP
1.32
XLogP3
1.7
Consensus LogP
1.5
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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