CAS RN: 655785-24-3
(R)-2-(Benzyloxycarbonylamino)-1,4-dimethanesulfonyloxybutane
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260206 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS655785-24-3
- Purity/Analytical Methods: >99.0%
655785-24-3 / [4-methylsulfonyloxy-3-(phenylmethoxycarbonylamino)butyl] methanesulfonate
Basic Information
CAS
655785-24-3
Multi CAS
Yes
Molecular Formula
C14H21NO8S2
Molecular Weight
395.500000
Exact Mass
395.070859
InChI
InChI=1S/C14H21NO8S2/c1-24(17,18)22-9-8-13(11-23-25(2,19)20)15-14(16)21-10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,15,16)/t13-/m1/s1
InChIKey
LMSSVYYPSBHSLA-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
1
Molar refractivity
89.76
TPSA
125.07
LogP / Solubility
WLOGP
0.62
MLOGP
0.57
XLogP3
0.7
Consensus LogP
0.63
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
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)
-4.69
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
3
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