CAS RN: 177315-87-6
C10-HOMOSERINE LACTONE
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
| Batchno.20251022 |
5mg / 10mg / 50mg / 250mg / 1g |
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Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
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Product code:
starshine_CAS177315-87-6
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Purity/Analytical Methods:
>99.0%
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177315-87-6 / N-[(3S)-2-oxooxolan-3-yl]decanamide
Standard CAS: 177315-87-6
Multi CAS: No
Basic Information
CAS
177315-87-6
Multi CAS
No
Molecular Formula
C14H25NO3
Molecular Weight
255.350000
Exact Mass
255.183444
SMILES
CCCCCCCCCC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1
InChIKey
TZWZKDULKILUPV-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.86
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.12
TPSA
55.4
LogP / Solubility
WLOGP
2.56
MLOGP
2.26
XLogP3
3.7
Consensus LogP
2.84
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly 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)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2