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CAS 67953-08-6 L-GLUTAMIC ACID GAMMA-(P-NITROANILIDE) HYDROCHLORIDE molecular structure lightbox
CAS RN: 67953-08-6

L-GLUTAMIC ACID GAMMA-(P-NITROANILIDE) HYDROCHLORIDE

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250409 10mg / 50mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20250422 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20251013 5mg In stock Shanghai, Wuhan Inquiry
  • Product code: starshine_CAS67953-08-6
  • Purity/Analytical Methods: >99.0%
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67953-08-6 / (4-amino-1-carboxy-4-oxobutyl)-(4-nitrophenyl)azanium chloride

Standard CAS: 67953-08-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67953-08-6
Multi CAS
Yes
Molecular Formula
C11H14CLN3O5
Molecular Weight
303.700000
Exact Mass
303.062198
InChI
InChI=1S/C11H13N3O5.ClH/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19;/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17);1H/t9-;/m0./s1
InChIKey
OJEVFSFTVARWQX-FVGYRXGTSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
64.53
TPSA
140.14

LogP / Solubility

WLOGP
-3.49
MLOGP
-3.06
XLogP3
-3.49
Consensus LogP
-3.35
Log S (ESOL)
0.71
Class (ESOL)
Highly soluble
Log S (Ali)
0.47
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.42
Class (SILICOS-IT)
Highly 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)
-7.05

Drug-likeness / Medicinal Chemistry

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

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