CAS RN: 1160219-36-2
METHYL3-FORMYL-1-METHYL-1H-INDOLE-6-CARBOXYLATE
- Product code: SSC-016051
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 | Hong Kong | Inquiry |
1160219-36-2 / methyl 3-formyl-1-methylindole-6-carboxylate
METHYL 3-FORMYL-1-METHYL-1H-INDOLE-6-CARBOXYLATE | MFCD16037094 | methyl 3-formyl-1-methylindole-6-carboxylate
Basic Information
CAS
1160219-36-2
Multi CAS
Yes
Molecular Formula
C12H11NO3
Molecular Weight
217.220000
Exact Mass
217.073893
SMILES
CN1C=C(C2=C1C=C(C=C2)C(=O)OC)C=O
InChI
InChI=1S/C12H11NO3/c1-13-6-9(7-14)10-4-3-8(5-11(10)13)12(15)16-2/h3-7H,1-2H3
InChIKey
HPAYXZMHHIBXPL-UHFFFAOYSA-N
Synonyms
METHYL 3-FORMYL-1-METHYL-1H-INDOLE-6-CARBOXYLATE
MFCD16037094
methyl 3-formyl-1-methylindole-6-carboxylate
METHYL3-FORMYL-1-METHYL-1H-INDOLE-6-CARBOXYLATE
AKOS023767933
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
59.65
TPSA
48.3
LogP / Solubility
WLOGP
1.78
MLOGP
1.57
XLogP3
1.3
Consensus LogP
1.55
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.78
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
Customers Also Viewed
-
![CAS 1160221-25-9 Benzoic acid, 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]aMino]-3-Methyl-2-pyridinyl]-, 1,1-diMethylethyl ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Benzoic acid, 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]aMino]-3-Methyl-2-pyridinyl]-, 1,1-diMethylethyl ester
- CAS RN: 1160221-25-9
- Product Code: SSC-016053
-
spiro[1,3-dioxolane-2,5′-1,4,6,7-tetrahydroindazole]
- CAS RN: 1160245-61-3
- Product Code: starshine_CAS1160245-61-3
- Purity/Analytical method: >99.0%
-
9-benzyl-6-oxa-9-azaspiro[3.6]decan-8-one
- CAS RN: 1160245-66-8
- Product Code: starshine_CAS1160245-66-8
- Purity/Analytical method: >99.0%
-
[1-(2,2-difluoroethyl)piperidin-4-yl]acetic acid
- CAS RN: 1160246-21-8
- Product Code: SSC-016056
-
1,3-dimethyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
- CAS RN: 1160246-28-5
- Product Code: SSC-016057
-
1-ISOPROPYL-3-METHYL-6-OXO-6,7-DIHYDRO-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID
- CAS RN: 1160246-29-6
- Product Code: SSC-016058
![CAS 1160221-25-9 Benzoic acid, 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]aMino]-3-Methyl-2-pyridinyl]-, 1,1-diMethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160221-25-9.gif)
![CAS 1160245-61-3 spiro[1,3-dioxolane-2,5′-1,4,6,7-tetrahydroindazole] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160245-61-3.gif)
![CAS 1160245-66-8 9-benzyl-6-oxa-9-azaspiro[3.6]decan-8-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160245-66-8.gif)
![CAS 1160246-21-8 [1-(2,2-difluoroethyl)piperidin-4-yl]acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160246-21-8.gif)
![CAS 1160246-28-5 1,3-dimethyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160246-28-5.gif)
![CAS 1160246-29-6 1-ISOPROPYL-3-METHYL-6-OXO-6,7-DIHYDRO-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160246-29-6.gif)