CAS RN: 20027-95-6
1,5-DIBROMO-2,6-DIMETHYL-NAPHTHALENE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS20027-95-6
- Purity/Analytical Methods: >99.0%
20027-95-6 / 1,5-dibromo-2,6-dimethylnaphthalene
Basic Information
CAS
20027-95-6
Multi CAS
No
Molecular Formula
C12H10Br2
Molecular Weight
314.010000
Exact Mass
313.912880
SMILES
CC1=C(C2=C(C=C1)C(=C(C=C2)C)Br)Br
InChI
InChI=1S/C12H10Br2/c1-7-3-5-10-9(11(7)13)6-4-8(2)12(10)14/h3-6H,1-2H3
InChIKey
CJCKXYUJTNKMQF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.17
Molar refractivity
68.82
TPSA
0.0000
LogP / Solubility
WLOGP
4.98
MLOGP
4.4
XLogP3
5.3
Consensus LogP
4.89
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
BOC-D-ASP-NH2
- CAS RN: 200282-47-9
- Product Code: starshine_CAS200282-47-9
- Purity/Analytical method: >99.0%
-
tert-Butyl (2-((tert-butoxycarbonyl)amino)ethyl)(2-hydroxyethyl)carbamate
- CAS RN: 200283-08-5
- Product Code: SSC-094293
-
-
-
-
