CAS RN: 36978-36-6
BIPHENYL-2,3,3′,4′-TETRACARBOXYLIC ACID TETRAMETHYL ESTER
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260304 | 100mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS36978-36-6
- Purity/Analytical Methods: >99.0%
36978-36-6 / dimethyl 3-[3,4-bis(methoxycarbonyl)phenyl]benzene-1,2-dicarboxylate
Basic Information
CAS
36978-36-6
Multi CAS
No
Molecular Formula
C20H18O8
Molecular Weight
386.400000
Exact Mass
386.100168
InChI
InChI=1S/C20H18O8/c1-25-17(21)13-9-8-11(10-15(13)19(23)27-3)12-6-5-7-14(18(22)26-2)16(12)20(24)28-4/h5-10H,1-4H3
InChIKey
KMUZCUGHNARCSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
8
Molar refractivity
97.24
TPSA
105.2
LogP / Solubility
WLOGP
2.5
MLOGP
2.22
XLogP3
3
Consensus LogP
2.57
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
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)
-3.3
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
Customers Also Viewed
-
3-(P-CHLOROBENZOYL)-BUTYRIC ACID
- CAS RN: 36978-49-1
- Product Code: starshine_CAS36978-49-1
- Purity/Analytical method: >99.0%
-
5-acetyl-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
- CAS RN: 36980-95-7
- Product Code: SSC-144281
-
5,5-dimethyl-2-phenylmorpholine hydrochloride
- CAS RN: 36981-93-8
- Product Code: SSC-144282
-
-
-
