CAS RN: 1802928-88-6
Cy3.5 Carboxylic acids
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.20250429 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1802928-88-6
- Purity/Analytical Methods: >99.0%
1802928-88-6 / 6-[1,1-dimethyl-2-[(E)-3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-3-yl]hexanoic acid chloride
Basic Information
CAS
1802928-88-6
Multi CAS
No
Molecular Formula
C38H41ClN2O2
Molecular Weight
593.200000
Exact Mass
592.285656
SMILES
CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C=C4C(C5=C(N4CCCCCC(=O)O)C=CC6=CC=CC=C65)(C)C)C.[Cl-]
InChI
InChI=1S/C38H40N2O2.ClH/c1-37(2)32(39(5)30-23-21-26-14-8-10-16-28(26)35(30)37)18-13-19-33-38(3,4)36-29-17-11-9-15-27(29)22-24-31(36)40(33)25-12-6-7-20-34(41)42;/h8-11,13-19,21-24H,6-7,12,20,25H2,1-5H3;1H
InChIKey
VJCYHFMXCZYHEG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
20
Fraction Csp3
0.32
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
175.47
TPSA
43.55
LogP / Solubility
WLOGP
5.89
MLOGP
5.23
XLogP3
5.89
Consensus LogP
5.67
Log S (ESOL)
-7.04
Class (ESOL)
Insoluble
Log S (Ali)
-8.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.36
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
Customers Also Viewed
-
PRN-1371
- CAS RN: 1802929-43-6
- Product Code: starshine_CAS1802929-43-6
- Purity/Analytical method: >99.0%
-
GNE-140 (racemate)
- CAS RN: 1802977-61-2
- Product Code: starshine_CAS1802977-61-2
- Purity/Analytical method: >99.0%
-
Methyltetrazine-propylamine HCl salt
- CAS RN: 1802978-47-7
- Product Code: starshine_CAS1802978-47-7
- Purity/Analytical method: >99.0%
-
2-Propenoic acid, 2-methyl-, 6-[4-[2-(4-butylphenyl)diazenyl]phenoxy]hexyl ester
- CAS RN: 1802983-27-2
- Product Code: starshine_CAS1802983-27-2
- Purity/Analytical method: >99.0%
-
1H-Pyrazole-5-carboxylic acid, 1-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]-3-(4-methoxyphenyl)-, ethyl ester
- CAS RN: 1802997-81-4
- Product Code: starshine_CAS1802997-81-4
- Purity/Analytical method: >99.0%
-
N-[4-[[4-(1-Methylethyl)-1-piperazinyl]sulfonyl]phenyl]-2-nitro-4-(trifluoromethyl)benzamide hydrochloride
- CAS RN: 1803003-68-0
- Product Code: starshine_CAS1803003-68-0
- Purity/Analytical method: >99.0%
![CAS 1802983-27-2 2-Propenoic acid, 2-methyl-, 6-[4-[2-(4-butylphenyl)diazenyl]phenoxy]hexyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1802983-27-2.gif)
![CAS 1802997-81-4 1H-Pyrazole-5-carboxylic acid, 1-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]-3-(4-methoxyphenyl)-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1802997-81-4.gif)
![CAS 1803003-68-0 N-[4-[[4-(1-Methylethyl)-1-piperazinyl]sulfonyl]phenyl]-2-nitro-4-(trifluoromethyl)benzamide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1803003-68-0.gif)