CAS RN: 209525-73-5
N-BOC-2-(4”-CHLOROPHENYL)-DL-GLYCINE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-099283
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: >97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 0 Out of Stock | Beijing | Inquiry |
209525-73-5 / 2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Basic Information
CAS
209525-73-5
Multi CAS
No
Molecular Formula
C13H16ClNO4
Molecular Weight
285.720000
Exact Mass
285.076786
SMILES
CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C13H16ClNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-4-6-9(14)7-5-8/h4-7,10H,1-3H3,(H,15,18)(H,16,17)
InChIKey
ZZONJNNLTAGSHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71.2
TPSA
75.63
LogP / Solubility
WLOGP
2.99
MLOGP
2.64
XLogP3
2.8
Consensus LogP
2.81
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
2-(BroMoMethyl)-5-Methoxypyridine
- CAS RN: 209526-91-0
- Product Code: starshine_CAS209526-91-0
- Purity/Analytical method: >99.0%
-
-
-
5-NITROBARBITURIC ACID HYDRATE 95
- CAS RN: 209529-81-7
- Product Code: starshine_CAS209529-81-7
- Purity/Analytical method: >99.0%
-
[2-(2-CHLOROPHENYL)-2-HYDROXYETHYL]-CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER
- CAS RN: 209530-20-1
- Product Code: SSC-099291
-
5-METHYL-2-(2-METHYLPHENYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID
- CAS RN: 209539-12-8
- Product Code: SSC-099304
![CAS 209530-20-1 [2-(2-CHLOROPHENYL)-2-HYDROXYETHYL]-CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/209530-20-1.gif)
