CAS RN: 127221-02-7
5-ETHOXYCARBONYLINDOLE-2-CARBOXYLIC ACID ETHYL ESTER
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.20260425 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS127221-02-7
- Purity/Analytical Methods: >99.0%
127221-02-7 / diethyl 1H-indole-2,5-dicarboxylate
Basic Information
CAS
127221-02-7
Multi CAS
No
Molecular Formula
C14H15NO4
Molecular Weight
261.270000
Exact Mass
261.100108
SMILES
CCOC(=O)C1=CC2=C(C=C1)NC(=C2)C(=O)OCC
InChI
InChI=1S/C14H15NO4/c1-3-18-13(16)9-5-6-11-10(7-9)8-12(15-11)14(17)19-4-2/h5-8,15H,3-4H2,1-2H3
InChIKey
IEFLIZMMNNHRSB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.21
TPSA
68.39
LogP / Solubility
WLOGP
2.52
MLOGP
2.23
XLogP3
3.4
Consensus LogP
2.72
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
(E)-4-(diMethylaMino)-1,1,1-trifluorobut-3-en-2-one
- CAS RN: 127223-93-2
- Product Code: SSC-034708
-
-
-
5-(BROMOMETHYL)OXAZOLE
- CAS RN: 127232-42-2
- Product Code: starshine_CAS127232-42-2
- Purity/Analytical method: >99.0%
-
N-(2-[P-BROMOCINNAMYLAMINO]ETHYL)-5-ISOQUINOLINESULFONAMIDE HYDROCHLORIDE
- CAS RN: 127243-85-0
- Product Code: starshine_CAS127243-85-0
- Purity/Analytical method: >99.0%
![CAS 127243-85-0 N-(2-[P-BROMOCINNAMYLAMINO]ETHYL)-5-ISOQUINOLINESULFONAMIDE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/127243-85-0.gif)