CAS RN: 408534-01-0
N-(1,4-dihydroxybutan-2-yl)benzamide
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250428 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINN927265
408534-01-0 / N-(1,4-dihydroxybutan-2-yl)benzamide
Basic Information
CAS
408534-01-0
Multi CAS
No
Molecular Formula
C11H15NO3
Molecular Weight
209.240000
Exact Mass
209.105193
InChI
InChI=1S/C11H15NO3/c13-7-6-10(8-14)12-11(15)9-4-2-1-3-5-9/h1-5,10,13-14H,6-8H2,(H,12,15)
InChIKey
HDOSGIOHZHZDEH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
56.48
TPSA
69.56
LogP / Solubility
WLOGP
0.16
MLOGP
0.14
XLogP3
0.3
Consensus LogP
0.2
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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