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CAS 53774-63-3 N-(5-AMINO-5-CARBOXYPENTYL)-ACETAMIDINE molecular structure lightbox
CAS RN: 53774-63-3

N-(5-AMINO-5-CARBOXYPENTYL)-ACETAMIDINE

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260305 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250217 1ml Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS53774-63-3
  • Purity/Analytical Methods: >99.0%
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53774-63-3 / 2-amino-6-(1-aminoethylideneamino)hexanoic acid

Standard CAS: 53774-63-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53774-63-3
Multi CAS
Yes
Molecular Formula
C8H17N3O2
Molecular Weight
187.240000
Exact Mass
187.132077
InChI
InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
InChIKey
ONYFNWIHJBLQKE-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
51.63
TPSA
101.7

LogP / Solubility

WLOGP
-0.05
MLOGP
-0.05
XLogP3
-3.1
Consensus LogP
-1.07
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.9

Drug-likeness / Medicinal Chemistry

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

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