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CAS 301351-95-1 Arg-AMS molecular structure lightbox
CAS RN: 301351-95-1

Arg-AMS

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260614 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS301351-95-1
  • Purity/Analytical Methods: >99.0%
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301351-95-1 / [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]sulfamate

Standard CAS: 301351-95-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
301351-95-1
Multi CAS
Yes
Molecular Formula
C16H26N10O7S
Molecular Weight
502.500000
Exact Mass
502.170664
InChI
InChI=1S/C16H26N10O7S/c17-7(2-1-3-21-16(19)20)14(29)25-34(30,31)32-4-8-10(27)11(28)15(33-8)26-6-24-9-12(18)22-5-23-13(9)26/h5-8,10-11,15,27-28H,1-4,17H2,(H,25,29)(H2,18,22,23)(H4,19,20,21)/t7-,8+,10+,11+,15+/m0/s1
InChIKey
BPKLMCNLHSJSEL-JVEUSOJLSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
9
Fraction Csp3
0.56
Rotatable bonds
10
H-bond acceptors
14
H-bond donors
7
Molar refractivity
116.56
TPSA
282.2

LogP / Solubility

WLOGP
-4.21
MLOGP
-3.67
XLogP3
-4.5
Consensus LogP
-4.13
Log S (ESOL)
0.16
Class (ESOL)
Highly soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.63
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.78

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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