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CAS 6931-71-1 3,4-Diethyl-3,4-hexanediol molecular structure lightbox
CAS RN: 6931-71-1

3,4-Diethyl-3,4-hexanediol

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250924 100g In stock Shanghai Inquiry
Batchno.20250905 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260315 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250219 500g In stock Shanghai Inquiry
Batchno.20250620 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-178946
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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: 25g
  • 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 6931-71-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

6931-71-1 / 3,4-diethylhexane-3,4-diol

Standard CAS: 6931-71-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6931-71-1
Multi CAS
No
Molecular Formula
C10H22O2
Molecular Weight
174.280000
Exact Mass
174.161980
InChI
InChI=1S/C10H22O2/c1-5-9(11,6-2)10(12,7-3)8-4/h11-12H,5-8H2,1-4H3
InChIKey
HDXDBVSPBNTNNA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.06
TPSA
40.46

LogP / Solubility

WLOGP
2.09
MLOGP
1.83
XLogP3
2.2
Consensus LogP
2.04
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-2.3

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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