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CAS 642-38-6 (-)-Quebrachitol, Analytical reference molecular structure lightbox
CAS RN: 642-38-6

(-)-Quebrachitol, Analytical reference

Product Availability

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8 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250223 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250928 100mg In stock Shanghai Inquiry
Batchno.20260427 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20250826 1g In stock Shanghai Inquiry
Batchno.20251217 250mg In stock Shanghai Inquiry
Batchno.20251029 25g In stock Shanghai Inquiry
Batchno.20250504 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250902 20mg In stock Shanghai, Shandong Inquiry
  • Product code: SSC-173959
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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: ≥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 642-38-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

642-38-6 / (1R,2S,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol

Standard CAS: 642-38-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
642-38-6
Multi CAS
Yes
Molecular Formula
C7H14O6
Molecular Weight
194.180000
Exact Mass
194.079038
InChI
InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4-,5+,6+,7?/m0/s1
InChIKey
DSCFFEYYQKSRSV-MBXCVVGISA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
5
Molar refractivity
40.83
TPSA
110.38

LogP / Solubility

WLOGP
-3.18
MLOGP
-2.8
XLogP3
-3.2
Consensus LogP
-3.06
Log S (ESOL)
1.03
Class (ESOL)
Highly soluble
Log S (Ali)
1.14
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.6
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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