![CAS 1858256-79-7 tert-butyl 8-bromo-5-ethyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1858256-79-7.gif)
CAS RN: 1858256-79-7
tert-butyl 8-bromo-5-ethyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250318 | 100mg | In stock | Tianjin | Inquiry | |
| Batchno.20260329 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250130 | 1g | In stock | Tianjin, Wuhan | Inquiry | |
| Batchno.20260311 | 250mg | In stock | Tianjin, Wuhan | Inquiry | |
| Batchno.20260701 | 5g | In stock | Tianjin, Wuhan | Inquiry |
- Product code: starshine_CAS1858256-79-7
- Purity/Analytical Methods: >99.0%
1858256-79-7 / tert-butyl 8-bromo-5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
Basic Information
CAS
1858256-79-7
Multi CAS
No
Molecular Formula
C18H23BrN2O2
Molecular Weight
379.300000
Exact Mass
378.094290
SMILES
CCN1C2=C(CN(CC2)C(=O)OC(C)(C)C)C3=C1C=CC(=C3)Br
InChI
InChI=1S/C18H23BrN2O2/c1-5-21-15-7-6-12(19)10-13(15)14-11-20(9-8-16(14)21)17(22)23-18(2,3)4/h6-7,10H,5,8-9,11H2,1-4H3
InChIKey
NBNVZRJGTHEHFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
95.66
TPSA
34.47
LogP / Solubility
WLOGP
4.72
MLOGP
4.17
XLogP3
3.7
Consensus LogP
4.2
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 1858260-93-1 6,8-dichloro-3-methylimidazo[1,5-a]pyrazine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
6,8-dichloro-3-methylimidazo[1,5-a]pyrazine
- CAS RN: 1858260-93-1
- Product Code: SSC-086042
-
4-(5-(Methylsulfonyl)-1,3,4-oxadiazol-2-yl)aniline
- CAS RN: 1858267-88-5
- Product Code: SSC-086043
-
(2S)-1-Amino-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-ol hydrochloride
- CAS RN: 1858273-09-2
- Product Code: SSC-086045
-
(R)-3-Boc-4-isopropyl-1,2,3-oxathiazolidine 2,2-dioxide
- CAS RN: 1858273-22-9
- Product Code: SSC-086046
-
Sulfamic acid, [(1R,2S,4R)-4-[[5-[[4-[(1R)-7-chloro-1,2,3,4-tetrahydro-1-isoquinolinyl]-5-methyl-2-thienyl]carbonyl]-4-pyrimidinyl]amino]-2-hydroxycyclopentyl]methyl ester
- CAS RN: 1858276-04-6
- Product Code: SSC-086047
-
6-(1,1′-biphenyl-3-yl)dibenzothiophene-4-boronic acid pinacol ester
- CAS RN: 1858289-64-1
- Product Code: SSC-086049
![CAS 1858260-93-1 6,8-dichloro-3-methylimidazo[1,5-a]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1858260-93-1.gif)
![CAS 1858276-04-6 Sulfamic acid, [(1R,2S,4R)-4-[[5-[[4-[(1R)-7-chloro-1,2,3,4-tetrahydro-1-isoquinolinyl]-5-methyl-2-thienyl]carbonyl]-4-pyrimidinyl]amino]-2-hydroxycyclopentyl]methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1858276-04-6.gif)
