CAS RN: 114873-17-5
BOC-5-BROMO-D-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.20251005 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-014599
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Beijing | Inquiry |
114873-17-5 / (2R)-3-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Boc-5-bromo-DL-tryptophan | 2-[(tert-butoxycarbonyl)amino]-3-(5-bromo-1H-indol-3-yl)propanoic acid | MFCD02682356
Basic Information
CAS
114873-17-5
Multi CAS
Yes
Molecular Formula
C16H19BrN2O4
Molecular Weight
383.240000
Exact Mass
382.052820
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C16H19BrN2O4/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-/m1/s1
InChIKey
DYUYEAWOUQONRU-CYBMUJFWSA-N
Synonyms
Boc-5-bromo-DL-tryptophan
2-[(tert-butoxycarbonyl)amino]-3-(5-bromo-1H-indol-3-yl)propanoic acid
MFCD02682356
3-(5-Bromo-1H-indol-3-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid
3-(5-bromo-1H-indol-3-yl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid
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
90.5
TPSA
91.42
LogP / Solubility
WLOGP
3.45
MLOGP
3.06
XLogP3
2.7
Consensus LogP
3.07
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
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)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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