CAS RN: 129135-66-6
5-BROMOMETHYL-3-P-TOLYL-ISOXAZOLE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250303 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS129135-66-6
- Purity/Analytical Methods: >99.0%
129135-66-6 / 5-(bromomethyl)-3-(4-methylphenyl)-1,2-oxazole
Basic Information
CAS
129135-66-6
Multi CAS
No
Molecular Formula
C11H10BrNO
Molecular Weight
252.110000
Exact Mass
250.994580
SMILES
CC1=CC=C(C=C1)C2=NOC(=C2)CBr
InChI
InChI=1S/C11H10BrNO/c1-8-2-4-9(5-3-8)11-6-10(7-12)14-13-11/h2-6H,7H2,1H3
InChIKey
FPRJQQSZPBCSGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.31
TPSA
26.03
LogP / Solubility
WLOGP
3.54
MLOGP
3.13
XLogP3
3
Consensus LogP
3.22
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
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)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501
Customers Also Viewed
-
-
-
1H,3H-Pyrrolo[1,2-c][1,3,2]oxazaborole, 1-butyltetrahydro-3,3-diphenyl-, (S)-
- CAS RN: 129145-37-5
- Product Code: SSC-036308
-
Gancaonin M
- CAS RN: 129145-51-3
- Product Code: starshine_CAS129145-51-3
- Purity/Analytical method: >99.0%
-
4H-1-Benzopyran-4-one,5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-6-(3-methyl-2-buten-1-yl)-
- CAS RN: 129145-52-4
- Product Code: starshine_CAS129145-52-4
- Purity/Analytical method: >99.0%
-
4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-
- CAS RN: 129145-53-5
- Product Code: starshine_CAS129145-53-5
- Purity/Analytical method: >99.0%
![CAS 129145-37-5 1H,3H-Pyrrolo[1,2-c][1,3,2]oxazaborole, 1-butyltetrahydro-3,3-diphenyl-, (S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/129145-37-5.gif)
