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CAS 110371-23-8 bicyclo[3.2.1]octane-1,5-dicarboxylic acid molecular structure lightbox
CAS RN: 110371-23-8

bicyclo[3.2.1]octane-1,5-dicarboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260305 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-011455
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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 110371-23-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

110371-23-8 / bicyclo[3.2.1]octane-1,5-dicarboxylic acid

Bicyclo[3.2.1]octane-1,5-dicarboxylic acid | MFCD00831865 | SCHEMBL10151921

Standard CAS: 110371-23-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
110371-23-8
Multi CAS
No
Molecular Formula
C10H14O4
Molecular Weight
198.220000
Exact Mass
198.089209
SMILES
C1CC2(CCC(C1)(C2)C(=O)O)C(=O)O
InChI
InChI=1S/C10H14O4/c11-7(12)9-2-1-3-10(6-9,5-4-9)8(13)14/h1-6H2,(H,11,12)(H,13,14)
InChIKey
TUMOJUFCQFNRQM-UHFFFAOYSA-N
Synonyms
Bicyclo[3.2.1]octane-1,5-dicarboxylic acid MFCD00831865 SCHEMBL10151921 TUMOJUFCQFNRQM-UHFFFAOYSA-N PS-19733

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.84
TPSA
74.6

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
0.8
Consensus LogP
1.21
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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