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CAS 4730-22-7 6-Methyl-2-heptanol molecular structure lightbox
CAS RN: 4730-22-7

6-Methyl-2-heptanol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250217 1ml In stock Shandong Inquiry
  • Product code: SSC-154207
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5ml
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4730-22-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5ml ≥95% 0 Out of Stock Hong Kong Inquiry

4730-22-7 / 6-methylheptan-2-ol

Standard CAS: 4730-22-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4730-22-7
Multi CAS
Yes
Molecular Formula
C8H18O
Molecular Weight
130.230000
Exact Mass
130.135765
InChI
InChI=1S/C8H18O/c1-7(2)5-4-6-8(3)9/h7-9H,4-6H2,1-3H3
InChIKey
FCOUHTHQYOMLJT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.37
TPSA
20.23

LogP / Solubility

WLOGP
2.19
MLOGP
1.92
XLogP3
2.6
Consensus LogP
2.24
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-1.96

Drug-likeness / Medicinal Chemistry

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

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