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CAS 97685-00-2 Dabsyl-L-tryptophan molecular structure lightbox
CAS RN: 97685-00-2

Dabsyl-L-tryptophan

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260501 100mg In stock Inquiry
Batchno.20251012 500mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260106 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: ICTD1459
  • Purity/Analytical Methods: >98.0%(HPLC)
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97685-00-2 / 2-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid

Standard CAS: 97685-00-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97685-00-2
Multi CAS
Yes
Molecular Formula
C25H25N5O4S
Molecular Weight
491.600000
Exact Mass
491.162725
InChI
InChI=1S/C25H25N5O4S/c1-30(2)20-11-7-18(8-12-20)27-28-19-9-13-21(14-10-19)35(33,34)29-24(25(31)32)15-17-16-26-23-6-4-3-5-22(17)23/h3-14,16,24,26,29H,15H2,1-2H3,(H,31,32)
InChIKey
SGKGZXUAHWJTIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
21
Fraction Csp3
0.16
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
3
Molar refractivity
135.13
TPSA
127.22

LogP / Solubility

WLOGP
4.62
MLOGP
4.1
XLogP3
3.8
Consensus LogP
4.17
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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