CAS RN: 23885-72-5
CHLORAMPHENICOL-ALCOHOL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251223 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS23885-72-5
- Purity/Analytical Methods: >99.0%
23885-72-5 / N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-hydroxyacetamide
Basic Information
CAS
23885-72-5
Multi CAS
No
Molecular Formula
C11H14N2O6
Molecular Weight
270.240000
Exact Mass
270.085186
SMILES
C1=CC(=CC=C1C(C(CO)NC(=O)CO)O)[N+](=O)[O-]
InChI
InChI=1S/C11H14N2O6/c14-5-9(12-10(16)6-15)11(17)7-1-3-8(4-2-7)13(18)19/h1-4,9,11,14-15,17H,5-6H2,(H,12,16)/t9-,11-/m1/s1
InChIKey
BZEQYQTWTWMDNK-MWLCHTKSSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
4
Molar refractivity
64.16
TPSA
132.93
LogP / Solubility
WLOGP
-0.9
MLOGP
-0.79
XLogP3
-0.7
Consensus LogP
-0.8
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
Class (SILICOS-IT)
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)
-5.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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