CAS RN: 13058-16-7
N-Carbobenzoxy-DL-tryptophan
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250116 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250403 | 10g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250623 | 25g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20251109 | 500g | In stock | Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20251228 | 5g | In stock | Shanghai, Wuhan, Chengdu | Inquiry |
- Product code: ICTC0641
- Purity/Analytical Methods: >97.0%(T)
13058-16-7 / 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
Basic Information
CAS
13058-16-7
Multi CAS
No
Molecular Formula
C19H18N2O4
Molecular Weight
338.400000
Exact Mass
338.126657
SMILES
C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C19H18N2O4/c22-18(23)17(10-14-11-20-16-9-5-4-8-15(14)16)21-19(24)25-12-13-6-2-1-3-7-13/h1-9,11,17,20H,10,12H2,(H,21,24)(H,22,23)
InChIKey
AHYFYYVVAXRMKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.16
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
93.19
TPSA
91.42
LogP / Solubility
WLOGP
3.09
MLOGP
2.74
XLogP3
2.3
Consensus LogP
2.71
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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![CAS 35737-15-6 Nα-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-tryptophan molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f0307-jpgcontextbwfzdgvyfhjvb3r8mzqynzl8aw1hz2uvanblz3xozmyvagm4lzg5mza2ndiwmzq3mtgvrjazmdcuanbnfdljodyyztg2mmm2ntvlodkwndczmge1owy5mdezodvizgfjntkxzwrhowmynzflyweynmrhztgymjllnwqwmwe.jpeg)
