CAS RN: 331730-09-7
BOC-D-2-FURYLALANINE DCHA SALT
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.20260310 | 100mg / 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS331730-09-7
- Purity/Analytical Methods: >99.0%
331730-09-7 / N-cyclohexylcyclohexanamine;(2R)-3-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Basic Information
CAS
331730-09-7
Multi CAS
Yes
Molecular Formula
C24H40N2O5
Molecular Weight
436.600000
Exact Mass
436.293722
InChI
InChI=1S/C12H17NO5.C12H23N/c1-12(2,3)18-11(16)13-9(10(14)15)7-8-5-4-6-17-8;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,9H,7H2,1-3H3,(H,13,16)(H,14,15);11-13H,1-10H2/t9-;/m1./s1
InChIKey
QYEOQPFAYJEDFE-SBSPUUFOSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
120.09
TPSA
100.8
LogP / Solubility
WLOGP
5.04
MLOGP
4.46
XLogP3
5.04
Consensus LogP
4.85
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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