![CAS 497833-27-9 [4-[(Hydroxyamino)carbonyl]phenyl]carbamic acid [6-[(diethylamino)methyl]-2-naphthalenyl]methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/497833-27-9.gif)
CAS RN: 497833-27-9
[4-[(Hydroxyamino)carbonyl]phenyl]carbamic acid [6-[(diethylamino)methyl]-2-naphthalenyl]methyl ester
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260113 | 2mg / 5mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS497833-27-9
- Purity/Analytical Methods: >99.0%
497833-27-9 / [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[4-(hydroxycarbamoyl)phenyl]carbamate
Basic Information
CAS
497833-27-9
Multi CAS
No
Molecular Formula
C24H27N3O4
Molecular Weight
421.500000
Exact Mass
421.200156
InChI
InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
InChIKey
YALNUENQHAQXEA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.25
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
3
Molar refractivity
120.08
TPSA
90.9
LogP / Solubility
WLOGP
4.55
MLOGP
4.03
XLogP3
3.6
Consensus LogP
4.06
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.14
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.06
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
2.5
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