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CAS 721928-03-6 (R)-2-((TERT-BUTOXYCARBONYL)AMINO)-4-(DIMETHYLAMINO)-4-OXOBUTANOIC ACID molecular structure lightbox
CAS RN: 721928-03-6

(R)-2-((TERT-BUTOXYCARBONYL)AMINO)-4-(DIMETHYLAMINO)-4-OXOBUTANOIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250731 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS721928-03-6
  • Purity/Analytical Methods: >99.0%
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721928-03-6 / 4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid

Standard CAS: 721928-03-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
721928-03-6
Multi CAS
Yes
Molecular Formula
C11H20N2O5
Molecular Weight
260.290000
Exact Mass
260.137222
InChI
InChI=1S/C11H20N2O5/c1-11(2,3)18-10(17)12-7(9(15)16)6-8(14)13(4)5/h7H,6H2,1-5H3,(H,12,17)(H,15,16)/t7-/m1/s1
InChIKey
WNVCRAUZUATQRQ-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.73
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
64.1
TPSA
95.94

LogP / Solubility

WLOGP
0.44
MLOGP
0.4
Consensus LogP
0.28
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately 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)
-3.99

Drug-likeness / Medicinal Chemistry

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

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