CAS RN: 252264-92-9
T 82
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.20260627 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS252264-92-9
- Purity/Analytical Methods: >99.0%
252264-92-9 / 2-[2-(1-benzylpiperidin-4-yl)ethyl]-9-methoxy-3H-pyrrolo[3,4-b]quinolin-1-one;(E)-but-2-enedioic acid
Basic Information
CAS
252264-92-9
Multi CAS
No
Molecular Formula
C30H33N3O6
Molecular Weight
531.600000
Exact Mass
531.236936
SMILES
COC1=C2C(=NC3=CC=CC=C31)CN(C2=O)CCC4CCN(CC4)CC5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/2C26H29N3O2.C4H4O4/c2*1-31-25-21-9-5-6-10-22(21)27-23-18-29(26(30)24(23)25)16-13-19-11-14-28(15-12-19)17-20-7-3-2-4-8-20;5-3(6)1-2-4(7)8/h2*2-10,19H,11-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
InChIKey
SBNVPBCNIIPOSY-WXXKFALUSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
16
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
146.51
TPSA
120.27
LogP / Solubility
WLOGP
4.21
MLOGP
3.75
XLogP3
4.21
Consensus LogP
4.06
Log S (ESOL)
-5.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.57
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.97
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
5
Customers Also Viewed
-
(S)-(+)-(3,5-Dioxa-4-phospha-cyclohepta[2,1-a
- CAS RN: 252288-04-3
- Product Code: SSC-120988
-
(R)-5-(hydroxymethyl)-3-(4-iodophenyl)oxazolidin-2-one
- CAS RN: 252330-13-5
- Product Code: starshine_CAS252330-13-5
- Purity/Analytical method: >99.0%
-
9,9′-O-isopropyllidene-isolariciresil
- CAS RN: 252333-71-4
- Product Code: starshine_CAS252333-71-4
- Purity/Analytical method: >99.0%
-
Isotaxiresinol 9,9′-acetonide
- CAS RN: 252333-72-5
- Product Code: starshine_CAS252333-72-5
- Purity/Analytical method: >99.0%
-
8-(2-FLUORO-4-NITROPHENYL)-1,4-DIOXA-8-AZASPIRO[4.5]DECANE
- CAS RN: 252336-82-6
- Product Code: starshine_CAS252336-82-6
- Purity/Analytical method: >99.0%
-
5-[N-(6-(TRIFLUOROACETAMIDO)HEXYL)-3(E)-ACRYLAMIDO]-2′-DEOXYURIDINE
- CAS RN: 252337-58-9
- Product Code: starshine_CAS252337-58-9
- Purity/Analytical method: >99.0%
![CAS 252336-82-6 8-(2-FLUORO-4-NITROPHENYL)-1,4-DIOXA-8-AZASPIRO[4.5]DECANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB7845189.gif)
![CAS 252337-58-9 5-[N-(6-(TRIFLUOROACETAMIDO)HEXYL)-3(E)-ACRYLAMIDO]-2′-DEOXYURIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/252337-58-9.gif)