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CAS 97684-99-6 Dabsyl-L-methionine molecular structure lightbox
CAS RN: 97684-99-6

Dabsyl-L-methionine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250717 10mg In stock Shanghai, Shandong Inquiry
  • Product code: ICTD1457
  • Purity/Analytical Methods: >95.0%(HPLC)
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97684-99-6 / 2-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]-4-methylsulfanylbutanoic acid

Standard CAS: 97684-99-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97684-99-6
Multi CAS
Yes
Molecular Formula
C19H24N4O4S2
Molecular Weight
436.600000
Exact Mass
436.123898
InChI
InChI=1S/C19H24N4O4S2/c1-23(2)16-8-4-14(5-9-16)20-21-15-6-10-17(11-7-15)29(26,27)22-18(19(24)25)12-13-28-3/h4-11,18,22H,12-13H2,1-3H3,(H,24,25)
InChIKey
YGFUZBPDTRWEQW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
2
Molar refractivity
116.13
TPSA
111.43

LogP / Solubility

WLOGP
3.65
MLOGP
3.24
XLogP3
3.4
Consensus LogP
3.43
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.73
Class (SILICOS-IT)
Insoluble

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)
-2.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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