![CAS 93012-36-3 5,5′-DiMethyl-[1,1′-biphenyl]-2,2′-dicarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/93012-36-3.gif)
CAS RN: 93012-36-3
5,5′-DiMethyl-[1,1′-biphenyl]-2,2′-dicarboxylic acid
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-207038
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
93012-36-3 / 2-(2-carboxy-5-methylphenyl)-4-methylbenzoic acid
Basic Information
CAS
93012-36-3
Multi CAS
Yes
Molecular Formula
C16H14O4
Molecular Weight
270.280000
Exact Mass
270.089209
InChI
InChI=1S/C16H14O4/c1-9-3-5-11(15(17)18)13(7-9)14-8-10(2)4-6-12(14)16(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKey
HCUNISHLIXGFFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
75.27
TPSA
74.6
LogP / Solubility
WLOGP
3.37
MLOGP
2.97
XLogP3
2.8
Consensus LogP
3.05
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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