.gif)
CAS RN: 1346600-23-4
4-AMino-5-chloro-2-ethoxybenzoic Acid-d5
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.20260507 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1346600-23-4
- Purity/Analytical Methods: >99.0%
1346600-23-4 / 4-amino-5-chloro-2-(1,1,2,2,2-pentadeuterioethoxy)benzoic acid
Basic Information
CAS
1346600-23-4
Multi CAS
No
Molecular Formula
C9H10ClNO3
Molecular Weight
220.660000
Exact Mass
220.066305
SMILES
[2H]C([2H])([2H])C([2H])([2H])OC1=CC(=C(C=C1C(=O)O)Cl)N
InChI
InChI=1S/C9H10ClNO3/c1-2-14-8-4-7(11)6(10)3-5(8)9(12)13/h3-4H,2,11H2,1H3,(H,12,13)/i1D3,2D2
InChIKey
XWGYOMHQGQZRLC-ZBJDZAJPSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
53.99
TPSA
72.55
LogP / Solubility
WLOGP
2.02
MLOGP
1.78
XLogP3
1.6
Consensus LogP
1.8
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6
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
-
4-AMinobenzaMidine-d4 Dihydrochloride
- CAS RN: 1346600-28-9
- Product Code: starshine_CAS1346600-28-9
- Purity/Analytical method: >99.0%
-
rac Dehydro-O-desMethyl Venlafaxine
- CAS RN: 1346600-38-1
- Product Code: starshine_CAS1346600-38-1
- Purity/Analytical method: >99.0%
-
ZOLPIDEM IMPURITY A
- CAS RN: 1346600-85-8
- Product Code: starshine_CAS1346600-85-8
- Purity/Analytical method: >99.0%
-
3-Indoxyl Sulfate-d4 PotassiuM Salt
- CAS RN: 1346601-03-3
- Product Code: starshine_CAS1346601-03-3
- Purity/Analytical method: >99.0%
-
1-(3-Methoxyphenyl)-2-[[Methyl(phenylMethyl)aMino]Methyl]-cyclohexanol
- CAS RN: 1346601-74-8
- Product Code: starshine_CAS1346601-74-8
- Purity/Analytical method: >99.0%
-
DoMperidoneiMpurityE
- CAS RN: 1346602-50-3
- Product Code: starshine_CAS1346602-50-3
- Purity/Analytical method: >99.0%
.gif)
.gif)
![CAS 1346601-74-8 1-(3-Methoxyphenyl)-2-[[Methyl(phenylMethyl)aMino]Methyl]-cyclohexanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42621999(1).gif)
