CAS RN: 886755-18-6
(S)-4-(10,12-dioxo-12-（2-oxotetrahydrofuran-3-ylamino）dodecyloxy)-4-oxobutanoic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250706 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS886755-18-6
- Purity/Analytical Methods: >99.0%
886755-18-6 / 4-[10,12-dioxo-12-[[(3S)-2-oxooxolan-3-yl]amino]dodecoxy]-4-oxobutanoic acid
Basic Information
CAS
886755-18-6
Multi CAS
Yes
Molecular Formula
C20H31NO8
Molecular Weight
413.500000
Exact Mass
413.204967
InChI
InChI=1S/C20H31NO8/c22-15(14-17(23)21-16-11-13-29-20(16)27)8-6-4-2-1-3-5-7-12-28-19(26)10-9-18(24)25/h16H,1-14H2,(H,21,23)(H,24,25)/t16-/m0/s1
InChIKey
MIDWRLKBRJDEQS-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.75
Rotatable bonds
16
H-bond acceptors
7
H-bond donors
2
Molar refractivity
101.9
TPSA
136.07
LogP / Solubility
WLOGP
1.91
MLOGP
1.7
XLogP3
2.5
Consensus LogP
2.04
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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- Product Code: starshine_CAS886756-67-8
- Purity/Analytical method: >99.0%
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