CAS RN: 910309-12-5
BOC-(S)-3-THIENYLGLYCINE
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.20251213 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS910309-12-5
- Purity/Analytical Methods: >99.0%
910309-12-5 / 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-3-ylacetic acid
Basic Information
CAS
910309-12-5
Multi CAS
Yes
Molecular Formula
C11H15NO4S
Molecular Weight
257.310000
Exact Mass
257.072179
InChI
InChI=1S/C11H15NO4S/c1-11(2,3)16-10(15)12-8(9(13)14)7-4-5-17-6-7/h4-6,8H,1-3H3,(H,12,15)(H,13,14)
InChIKey
VJYLMXXKPBZDHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
64.07
TPSA
75.63
LogP / Solubility
WLOGP
2.4
MLOGP
2.12
XLogP3
1.9
Consensus LogP
2.14
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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