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CAS 436-32-8 DIFFRACTIC ACID molecular structure lightbox
CAS RN: 436-32-8

DIFFRACTIC ACID

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260614 100mg In stock Shanghai Inquiry
Batchno.20251221 10mg In stock Shanghai Inquiry
Batchno.20251103 1g Out of stock Inquiry
Batchno.20250403 250mg In stock Shanghai Inquiry
Batchno.20260430 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS436-32-8
  • Purity/Analytical Methods: >99.0%
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436-32-8 / 4-(2,4-dimethoxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoic acid

Standard CAS: 436-32-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
436-32-8
Multi CAS
Yes
Molecular Formula
C20H22O7
Molecular Weight
374.400000
Exact Mass
374.136553
InChI
InChI=1S/C20H22O7/c1-9-8-14(11(3)17(21)15(9)19(22)23)27-20(24)16-10(2)7-13(25-5)12(4)18(16)26-6/h7-8,21H,1-6H3,(H,22,23)
InChIKey
MIJKZXWOOXIEEU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
98.52
TPSA
102.29

LogP / Solubility

WLOGP
3.56
MLOGP
3.15
XLogP3
4.5
Consensus LogP
3.74
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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