CAS RN: 207727-86-4
O-(2-Nitrobenzyl)-L-tyrosine Hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250831 | 250mg | In stock | Shanghai | Inquiry |
- Product code: SSC-097740
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g
- Available purity: ≥96%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥96% | 3 In Stock | Shanghai | Inquiry |
| 1g | ≥96% | 3 In Stock | Shanghai | Inquiry |
| 5g | ≥96% | 2 In Stock | Beijing | Inquiry |
| 10g | ≥96% | 1 In Stock | Beijing | Inquiry |
| 25g | ≥96% | 1 In Stock | Beijing | Inquiry |
207727-86-4 / (2S)-2-amino-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid;hydrochloride
Basic Information
CAS
207727-86-4
Multi CAS
No
Molecular Formula
C16H17ClN2O5
Molecular Weight
352.770000
Exact Mass
352.082599
SMILES
C1=CC=C(C(=C1)COC2=CC=C(C=C2)C[C@@H](C(=O)O)N)[N+](=O)[O-].Cl
InChI
InChI=1S/C16H16N2O5.ClH/c17-14(16(19)20)9-11-5-7-13(8-6-11)23-10-12-3-1-2-4-15(12)18(21)22;/h1-8,14H,9-10,17H2,(H,19,20);1H/t14-;/m0./s1
InChIKey
DRUCEARMIBXBOJ-UQKRIMTDSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
90.43
TPSA
115.69
LogP / Solubility
WLOGP
2.55
MLOGP
2.26
XLogP3
2.55
Consensus LogP
2.45
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
8-HYDROXYQUINOLINE-BETA-D-GLUCURONIC ACID, SODIUM SALT
- CAS RN: 207728-71-0
- Product Code: starshine_CAS207728-71-0
- Purity/Analytical method: >99.0%
-
Ethyl 1-(Boc-aMino)-3-cyclopentenecarboxylate
- CAS RN: 207729-00-8
- Product Code: SSC-097741
-
Carbamic acid, [(1R,3S)-3-hydroxycyclopentyl]-, 1,1-dimethylethyl ester, rel-
- CAS RN: 207729-03-1
- Product Code: SSC-097742
-
Carbamic acid, [(1R,3R)-3-hydroxycyclopentyl]-, 1,1-dimethylethyl ester, rel-
- CAS RN: 207729-04-2
- Product Code: SSC-097743
-
-
![CAS 207729-03-1 Carbamic acid, [(1R,3S)-3-hydroxycyclopentyl]-, 1,1-dimethylethyl ester, rel- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/207729-03-1.gif)
![CAS 207729-04-2 Carbamic acid, [(1R,3R)-3-hydroxycyclopentyl]-, 1,1-dimethylethyl ester, rel- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/207729-04-2.gif)
