CAS RN: 74304-97-5
Isoxazole, 3-methyl-5-(1-methyl-1H-pyrrol-2-yl)- (9CI)
- Product code: SSC-183752
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
74304-97-5 / 3-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole
Basic Information
CAS
74304-97-5
Multi CAS
No
Molecular Formula
C9H10N2O
Molecular Weight
162.190000
Exact Mass
162.079313
InChI
InChI=1S/C9H10N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h3-6H,1-2H3
InChIKey
LSAOUOBXXJJVOC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
45.65
TPSA
30.96
LogP / Solubility
WLOGP
1.99
MLOGP
1.75
XLogP3
1.2
Consensus LogP
1.65
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Cyclopentanol, 2-bromo- (7CI,9CI)
- CAS RN: 74305-04-7
- Product Code: starshine_CAS74305-04-7
- Purity/Analytical method: >99.0%
-
-
-
Heptelidic acid
- CAS RN: 74310-84-2
- Product Code: starshine_CAS74310-84-2
- Purity/Analytical method: >99.0%
-
(-)-(R)-N,N-DIMETHYL-1-[(R)-2-(DIPHENYLPHOSPHINO)FERROCENYL]ETHYLAMINE
- CAS RN: 74311-54-9
- Product Code: SSC-183757
-
N-(2-BROMOBENZYL)ACETAMIDE
- CAS RN: 74315-07-4
- Product Code: starshine_CAS74315-07-4
- Purity/Analytical method: >99.0%
![CAS 74311-54-9 (-)-(R)-N,N-DIMETHYL-1-[(R)-2-(DIPHENYLPHOSPHINO)FERROCENYL]ETHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/74311-54-9.gif)
