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CAS 31137-74-3 (2S,4R)-4-METHYLGLUTAMIC ACID molecular structure lightbox
CAS RN: 31137-74-3

(2S,4R)-4-METHYLGLUTAMIC ACID

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6 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250716 5mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260419 100mg In stock Shenzhen Inquiry
Batchno.20250511 10mg Out of stock Inquiry
Batchno.20260105 250mg Out of stock Inquiry
Batchno.20251210 25mg Out of stock Inquiry
Batchno.20250816 50mg In stock Shenzhen Inquiry
  • Product code: starshine_CAS31137-74-3
  • Purity/Analytical Methods: >99.0%
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31137-74-3 / 2-amino-4-methylpentanedioic acid

Standard CAS: 31137-74-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31137-74-3
Multi CAS
Yes
Molecular Formula
C6H11NO4
Molecular Weight
161.160000
Exact Mass
161.068808
InChI
InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4+/m1/s1
InChIKey
KRKRAOXTGDJWNI-DMTCNVIQSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
37.03
TPSA
100.62

LogP / Solubility

WLOGP
-0.49
MLOGP
-0.44
XLogP3
-2.9
Consensus LogP
-1.28
Log S (ESOL)
-0.27
Class (ESOL)
Very soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
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)
-4.05

Drug-likeness / Medicinal Chemistry

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

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