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CAS 557-00-6 Propyl isovalerate molecular structure lightbox
CAS RN: 557-00-6

Propyl isovalerate

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250823 100ml In stock Inquiry
Batchno.20250216 25ml In stock Inquiry
Batchno.20250311 500ml In stock Inquiry
Batchno.20260311 5ml In stock Inquiry
  • Product code: SSC-163629
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10ml
  • Available purity: >97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 557-00-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10ml >97% 1 In Stock Shenzhen Inquiry

557-00-6 / propyl 3-methylbutanoate

Standard CAS: 557-00-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
557-00-6
Multi CAS
No
Molecular Formula
C8H16O2
Molecular Weight
144.210000
Exact Mass
144.115030
InChI
InChI=1S/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3
InChIKey
LSJMDWFAADPNAX-UHFFFAOYSA-N

Physical Properties

Boiling Point
156.00 to 157.00 °C. @ 760.00 mm Hg
Density
0.860 - 0.866
Physical Description
colourless, mobile liquid/fruity odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
40.71
TPSA
26.3

LogP / Solubility

WLOGP
1.99
MLOGP
1.74
XLogP3
2.3
Consensus LogP
2.01
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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