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CAS 635-08-5 3,4,5,6-tetrahydrophthalic acid molecular structure lightbox
CAS RN: 635-08-5

3,4,5,6-tetrahydrophthalic acid

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251022 100mg Out of stock Inquiry
Batchno.20251106 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20251102 1g Out of stock Inquiry
Batchno.20250124 250mg Out of stock Inquiry
  • Product code: starshine_CAS635-08-5
  • Purity/Analytical Methods: >99.0%
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635-08-5 / cyclohexene-1,2-dicarboxylic acid

Standard CAS: 635-08-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
635-08-5
Multi CAS
Yes
Molecular Formula
C8H10O4
Molecular Weight
170.160000
Exact Mass
170.057909
InChI
InChI=1S/C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H2,(H,9,10)(H,11,12)
InChIKey
UFDHBDMSHIXOKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.77
TPSA
74.6

LogP / Solubility

WLOGP
1.03
MLOGP
0.9
XLogP3
1
Consensus LogP
0.98
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-3.03

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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