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CAS 18729-46-9 1-Cyclopropylpropan-1-ol molecular structure lightbox
CAS RN: 18729-46-9

1-Cyclopropylpropan-1-ol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250425 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-087060
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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: 1g
  • 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 18729-46-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

18729-46-9 / 1-cyclopropylpropan-1-ol

Standard CAS: 18729-46-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18729-46-9
Multi CAS
No
Molecular Formula
C6H12O
Molecular Weight
100.160000
Exact Mass
100.088815
SMILES
CCC(C1CC1)O
InChI
InChI=1S/C6H12O/c1-2-6(7)5-3-4-5/h5-7H,2-4H2,1H3
InChIKey
ZVTCOQDWIJYYSQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.02
TPSA
20.23

LogP / Solubility

WLOGP
1.17
MLOGP
1.02
XLogP3
1.2
Consensus LogP
1.13
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
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)
-2.5

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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