CAS RN: 729-24-8
H-VAL-BETANA
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.20250709 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS729-24-8
- Purity/Analytical Methods: >99.0%
729-24-8 / (2S)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
Basic Information
CAS
729-24-8
Multi CAS
Yes
Molecular Formula
C15H18N2O
Molecular Weight
242.320000
Exact Mass
242.141913
InChI
InChI=1S/C15H18N2O/c1-10(2)14(16)15(18)17-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,14H,16H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKey
OBGGZBHESVNMSA-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
75.39
TPSA
55.12
LogP / Solubility
WLOGP
2.76
MLOGP
2.44
XLogP3
2.8
Consensus LogP
2.67
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
4,4′-(dithiodicarbonothioyl)dimorpholine
- CAS RN: 729-46-4
- Product Code: starshine_CAS729-46-4
- Purity/Analytical method: >99.0%
-
-
4-methoxy-N-(4-nitrophenyl)benzenamine
- CAS RN: 730-11-0
- Product Code: starshine_CAS730-11-0
- Purity/Analytical method: >99.0%
-
Octanamide, N-(3,4-dichlorophenyl)-
- CAS RN: 730-25-6
- Product Code: starshine_CAS730-25-6
- Purity/Analytical method: >99.0%
-
Hexadeca-1,4-Lactone
- CAS RN: 730-46-1
- Product Code: starshine_CAS730-46-1
- Purity/Analytical method: >99.0%
-
5′-deoxy-5′-fluoroadenosine
- CAS RN: 731-98-6
- Product Code: starshine_CAS731-98-6
- Purity/Analytical method: >99.0%
