CAS RN: 189358-30-3
2,2′-BITHIOPHENE-5,5′-DIBORONIC ACID
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS189358-30-3
- Purity/Analytical Methods: >99.0%
189358-30-3 / [5-(5-boronothiophen-2-yl)thiophen-2-yl]boronic acid
Basic Information
CAS
189358-30-3
Multi CAS
No
Molecular Formula
C8H8B2O4S2
Molecular Weight
253.900000
Exact Mass
254.005011
SMILES
B(C1=CC=C(S1)C2=CC=C(S2)B(O)O)(O)O
InChI
InChI=1S/C8H8B2O4S2/c11-9(12)7-3-1-5(15-7)6-2-4-8(16-6)10(13)14/h1-4,11-14H
InChIKey
GERFEEQVJFVEBC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
67.28
TPSA
80.92
LogP / Solubility
WLOGP
-1.16
MLOGP
-1.02
XLogP3
-1.16
Consensus LogP
-1.11
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
ENDOMORPHIN-1
- CAS RN: 189388-22-5
- Product Code: starshine_CAS189388-22-5
- Purity/Analytical method: >99.0%
-
3-Amino-6-methoxy-benzo[b]thiophene-2-carboxylic acid methyl ester
- CAS RN: 189439-55-2
- Product Code: SSC-088568
-
1,2-Ethanediamine, N,N-bis(2-pyridinylmethyl)-
- CAS RN: 189440-33-3
- Product Code: SSC-088573
![CAS 189439-55-2 3-Amino-6-methoxy-benzo[b]thiophene-2-carboxylic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/189439-55-2.gif)
