CAS RN: 835-45-0
INDOLE-3-(4′-OXO)BUTYRIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260114 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-191305
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
835-45-0 / 4-(1H-indol-3-yl)-4-oxobutanoic acid
Basic Information
CAS
835-45-0
Multi CAS
Yes
Molecular Formula
C12H11NO3
Molecular Weight
217.220000
Exact Mass
217.073893
InChI
InChI=1S/C12H11NO3/c14-11(5-6-12(15)16)9-7-13-10-4-2-1-3-8(9)10/h1-4,7,13H,5-6H2,(H,15,16)
InChIKey
NLUOPJQCFYTMGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
59.5
TPSA
70.16
LogP / Solubility
WLOGP
2.22
MLOGP
1.95
XLogP3
1.5
Consensus LogP
1.89
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly 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)
-2.47
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
-
-
5-METHYL-1-P-TOLYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
- CAS RN: 835-60-9
- Product Code: SSC-191307
-
-
2-PHENETHYLBENZYL ALCOHOL
- CAS RN: 835-78-9
- Product Code: starshine_CAS835-78-9
- Purity/Analytical method: >99.0%
-
[[1,4-DIHYDRO-4-OXO-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]THIO]-ACETIC ACID
- CAS RN: 836-12-4
- Product Code: SSC-191365
-
![CAS 836-12-4 [[1,4-DIHYDRO-4-OXO-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]THIO]-ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/836-12-4.gif)
