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CAS 73477-53-9 (S)-(-)-2-Guanidinoglutaric Acid molecular structure lightbox
CAS RN: 73477-53-9

(S)-(-)-2-Guanidinoglutaric Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250311 5mg Out of stock 8-10 business days Inquiry
  • Product code: ICTG0265
  • Purity/Analytical Methods: >98.0%(T)
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73477-53-9 / 2-(diaminomethylideneamino)pentanedioic acid

Standard CAS: 73477-53-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73477-53-9
Multi CAS
Yes
Molecular Formula
C6H11N3O4
Molecular Weight
189.170000
Exact Mass
189.074956
InChI
InChI=1S/C6H11N3O4/c7-6(8)9-3(5(12)13)1-2-4(10)11/h3H,1-2H2,(H,10,11)(H,12,13)(H4,7,8,9)
InChIKey
RHVVRMJOHATSPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
4
Molar refractivity
44.1
TPSA
139

LogP / Solubility

WLOGP
-1.42
MLOGP
-1.25
XLogP3
-1.7
Consensus LogP
-1.46
Log S (ESOL)
0.21
Class (ESOL)
Highly soluble
Log S (Ali)
-0.08
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.31
Class (SILICOS-IT)
Very 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)
-4.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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