[email protected]
CAS 2387-71-5 2-[amino-(4-amino-4-carboxy-butyl)imino-methyl]aminobutanedioic acid molecular structure lightbox
CAS RN: 2387-71-5

2-[amino-(4-amino-4-carboxy-butyl)imino-methyl]aminobutanedioic acid

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251011 25μg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2387-71-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2387-71-5 / 2-[[N'-(4-amino-4-carboxybutyl)carbamimidoyl]amino]butanedioic acid

Standard CAS: 2387-71-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2387-71-5
Multi CAS
No
Molecular Formula
C10H18N4O6
Molecular Weight
290.270000
Exact Mass
290.122634
SMILES
C(CC(C(=O)O)N)CN=C(N)NC(CC(=O)O)C(=O)O
InChI
InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1
InChIKey
KDZOASGQNOPSCU-WDSKDSINSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.6
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
6
Molar refractivity
68.15
TPSA
188.33

LogP / Solubility

WLOGP
-1.99
MLOGP
-1.74
XLogP3
-4.7
Consensus LogP
-2.81
Log S (ESOL)
0.21
Class (ESOL)
Highly soluble
Log S (Ali)
-0.5
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.98
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)
-5.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us