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CAS 901-47-3 P-TOLUENESULFONYL-L-ARGININE METHYL ESTER HCL molecular structure lightbox
CAS RN: 901-47-3

P-TOLUENESULFONYL-L-ARGININE METHYL ESTER HCL

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5 package records4 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250327 1ml In stock Inquiry
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Batchno.20260429 10mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260629 1mg In stock Shanghai, Shandong Inquiry
Batchno.20260618 25mg In stock Shandong, Guangdong Inquiry
Batchno.20250226 5mg In stock Shanghai, Chongqing Inquiry
  • Product code: starshine_CAS901-47-3
  • Purity/Analytical Methods: >99.0%
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901-47-3 / methyl 2-amino-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]pentanoate

Standard CAS: 901-47-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
901-47-3
Multi CAS
Yes
Molecular Formula
C14H22N4O4S
Molecular Weight
342.420000
Exact Mass
342.136176
InChI
InChI=1S/C14H22N4O4S/c1-10-5-7-11(8-6-10)23(20,21)18-14(16)17-9-3-4-12(15)13(19)22-2/h5-8,12H,3-4,9,15H2,1-2H3,(H3,16,17,18)
InChIKey
GIGVCLWIEMFWBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
87.22
TPSA
136.87

LogP / Solubility

WLOGP
-0.13
MLOGP
-0.1
XLogP3
0.3
Consensus LogP
0.02
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.9

Drug-likeness / Medicinal Chemistry

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

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