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CAS 381670-34-4 2-Methylpentyl Formate molecular structure lightbox
CAS RN: 381670-34-4

2-Methylpentyl Formate

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250425 1ml Out of stock 8-10 business days Inquiry
Batchno.20260309 5ml In stock Shanghai Inquiry
  • Product code: ICTF0174
  • Purity/Analytical Methods: >90.0%(GC)
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381670-34-4 / 2-methylpentyl formate

Standard CAS: 381670-34-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
381670-34-4
Multi CAS
Yes
Molecular Formula
C7H14O2
Molecular Weight
130.180000
Exact Mass
130.099380
InChI
InChI=1S/C7H14O2/c1-3-4-7(2)5-9-6-8/h6-7H,3-5H2,1-2H3
InChIKey
KYHHSTLLLQRFHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
36.09
TPSA
26.3

LogP / Solubility

WLOGP
1.6
MLOGP
1.4
XLogP3
2.4
Consensus LogP
1.8
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately 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)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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