CAS RN: 114873-08-4
BOC-5-CHLORO-L-TRYPTOPHAN
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.20251015 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-014593
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: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Shanghai | Inquiry |
| 0.1g | >97% | 5 In Stock | Beijing | Inquiry |
| 0.25g | -- | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 5 In Stock | Shanghai | Inquiry |
| 1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 1 In Stock | Hong Kong | Inquiry |
114873-08-4 / (2S)-3-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Boc-5-chloro-DL-tryptophan | MFCD09264328 | 3-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Basic Information
CAS
114873-08-4
Multi CAS
Yes
Molecular Formula
C16H19ClN2O4
Molecular Weight
338.780000
Exact Mass
338.103335
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C16H19ClN2O4/c1-16(2,3)23-15(22)19-13(14(20)21)6-9-8-18-12-5-4-10(17)7-11(9)12/h4-5,7-8,13,18H,6H2,1-3H3,(H,19,22)(H,20,21)/t13-/m0/s1
InChIKey
PZZXAZAYKCNQAL-ZDUSSCGKSA-N
Synonyms
Boc-5-chloro-DL-tryptophan
MFCD09264328
3-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
2-{[(tert-butoxy)carbonyl]amino}-3-(5-chloro-1H-indol-3-yl)propanoic acid
SCHEMBL28462690
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
87.81
TPSA
91.42
LogP / Solubility
WLOGP
3.34
MLOGP
2.96
XLogP3
2.6
Consensus LogP
2.97
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
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
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
