CAS RN: 100874-08-6
SB 4
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260309 | 25mg / 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS100874-08-6
- Purity/Analytical Methods: >99.0%
100874-08-6 / 2-[(4-bromophenyl)methylsulfanyl]-1,3-benzoxazole
2-((4-Bromobenzyl)thio)benzo[d]oxazole | BMP signaling agonist sb4 | SB 4
Basic Information
CAS
100874-08-6
Multi CAS
No
Molecular Formula
C14H10BrNOS
Molecular Weight
320.210000
Exact Mass
318.966650
SMILES
C1=CC=C2C(=C1)N=C(O2)SCC3=CC=C(C=C3)Br
InChI
InChI=1S/C14H10BrNOS/c15-11-7-5-10(6-8-11)9-18-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2
InChIKey
JDVOIBFEFVKUPL-UHFFFAOYSA-N
Synonyms
2-((4-Bromobenzyl)thio)benzo[d]oxazole
BMP signaling agonist sb4
SB 4
2-[[(4-Bromophenyl)methyl]thio]benzoxazole
2-(4-Bromobenzylsulfanyl)benzoxazole
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
77.71
TPSA
26.03
LogP / Solubility
WLOGP
4.88
MLOGP
4.31
XLogP3
4.9
Consensus LogP
4.7
Log S (ESOL)
-5.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.15
Class (SILICOS-IT)
Insoluble
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)
-1.21
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
-
![CAS 100874-09-7 6-bromo-2-ethyl-1H-benzo[de]isoquinoline-1,3(2H)-dione molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
6-bromo-2-ethyl-1H-benzo[de]isoquinoline-1,3(2H)-dione
- CAS RN: 100874-09-7
- Product Code: SSC-001617
-
-
-
-
-
ARG-ARG BETA-NAPHTHYLAMIDE TRIHYDROCHLORIDE
- CAS RN: 100900-26-3
- Product Code: starshine_CAS100900-26-3
- Purity/Analytical method: >99.0%
![CAS 100874-09-7 6-bromo-2-ethyl-1H-benzo[de]isoquinoline-1,3(2H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/100874-09-7.gif)
