CAS RN: 284493-64-7
3-N-Boc-3-(2,3-dichlorophenyl)propionic acid
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.20260417 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS284493-64-7
- Purity/Analytical Methods: >99.0%
284493-64-7 / 3-(2,3-dichlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Basic Information
CAS
284493-64-7
Multi CAS
Yes
Molecular Formula
C14H17CL2NO4
Molecular Weight
334.200000
Exact Mass
333.053463
InChI
InChI=1S/C14H17Cl2NO4/c1-14(2,3)21-13(20)17-10(7-11(18)19)8-5-4-6-9(15)12(8)16/h4-6,10H,7H2,1-3H3,(H,17,20)(H,18,19)
InChIKey
KGXWCCCBQSYUKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
80.83
TPSA
75.63
LogP / Solubility
WLOGP
4.03
MLOGP
3.57
XLogP3
3.2
Consensus LogP
3.6
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
3-N-Boc-Amino-3-(4-chlorophenyl)propionic acid
- CAS RN: 284493-65-8
- Product Code: SSC-129715
-
3-BOC-AMINO-3-(2′-CHLOROPHENYL)PROPIONIC ACID
- CAS RN: 284493-66-9
- Product Code: SSC-129716
-
3-TERT-BUTOXYCARBONYLAMINO-3-(3-CHLORO-PHENYL)-PROPIONIC ACID
- CAS RN: 284493-67-0
- Product Code: SSC-129717
-
3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(4-FLUOROPHENYL)PROPANOIC ACID
- CAS RN: 284493-72-7
- Product Code: SSC-129718
-
2-Methoxycarbonylindole-5-boronicacid
- CAS RN: 284660-86-2
- Product Code: starshine_CAS284660-86-2
- Purity/Analytical method: >99.0%
-
DPC-681
- CAS RN: 284661-68-3
- Product Code: starshine_CAS284661-68-3
- Purity/Analytical method: >99.0%
![CAS 284493-72-7 3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(4-FLUOROPHENYL)PROPANOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/284493-72-7.png)
