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CAS 4471-05-0 1-Phenyl-1-hexanol molecular structure lightbox
CAS RN: 4471-05-0

1-Phenyl-1-hexanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250112 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-152732
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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: 5g
  • Available purity: ＞97%
  • 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 4471-05-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

4471-05-0 / 1-phenylhexan-1-ol

Standard CAS: 4471-05-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4471-05-0
Multi CAS
Yes
Molecular Formula
C12H18O
Molecular Weight
178.270000
Exact Mass
178.135765
InChI
InChI=1S/C12H18O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9,12-13H,2-3,5,10H2,1H3
InChIKey
SVCRDVHXRDRHCP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.54
TPSA
20.23

LogP / Solubility

WLOGP
3.3
MLOGP
2.9
XLogP3
3.4
Consensus LogP
3.2
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly 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)
-1.46

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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