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CAS 62675-82-5 METHYL 3-HYDROXYDECANOATE molecular structure lightbox
CAS RN: 62675-82-5

METHYL 3-HYDROXYDECANOATE

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260304 100mg In stock Shanghai, Guangdong Inquiry
Batchno.20251220 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS62675-82-5
  • Purity/Analytical Methods: >99.0%
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62675-82-5 / methyl 3-hydroxydecanoate

Standard CAS: 62675-82-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62675-82-5
Multi CAS
No
Molecular Formula
C11H22O3
Molecular Weight
202.290000
Exact Mass
202.156895
InChI
InChI=1S/C11H22O3/c1-3-4-5-6-7-8-10(12)9-11(13)14-2/h10,12H,3-9H2,1-2H3
InChIKey
UBVACUZVNTVHTE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.91
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.02
TPSA
46.53

LogP / Solubility

WLOGP
2.27
MLOGP
2
XLogP3
2.8
Consensus LogP
2.36
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.82
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

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

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