[email protected]
CAS 25796-04-7 4-BROMO-DL-TRYPTOPHAN molecular structure lightbox
CAS RN: 25796-04-7

4-BROMO-DL-TRYPTOPHAN

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260527 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS25796-04-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

25796-04-7 / (2S)-2-amino-3-(4-bromo-1H-indol-3-yl)propanoic acid

Standard CAS: 25796-04-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25796-04-7
Multi CAS
No
Molecular Formula
C11H11BrN2O2
Molecular Weight
283.120000
Exact Mass
282.000390
SMILES
C1=CC2=C(C(=C1)Br)C(=CN2)C[C@@H](C(=O)O)N
InChI
InChI=1S/C11H11BrN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)/t8-/m0/s1
InChIKey
OFKIVYVSESEHFZ-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
3
Molar refractivity
65.31
TPSA
79.11

LogP / Solubility

WLOGP
1.88
MLOGP
1.67
XLogP3
-0.5
Consensus LogP
1.02
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11

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

Get In Touch

Contact Us