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CAS 26308-13-4 H-Met-Gly-OH.HCl molecular structure lightbox
CAS RN: 26308-13-4

H-Met-Gly-OH.HCl

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260118 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS26308-13-4
  • Purity/Analytical Methods: >99.0%
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26308-13-4 / 2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acid;hydrochloride

Standard CAS: 26308-13-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26308-13-4
Multi CAS
No
Molecular Formula
C7H15ClN2O3S
Molecular Weight
242.720000
Exact Mass
242.049191
SMILES
CSCC[C@@H](C(=O)NCC(=O)O)N.Cl
InChI
InChI=1S/C7H14N2O3S.ClH/c1-13-3-2-5(8)7(12)9-4-6(10)11;/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11);1H/t5-;/m0./s1
InChIKey
ZCMADXFTIUIPKZ-JEDNCBNOSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.71
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
58.87
TPSA
92.42

LogP / Solubility

WLOGP
-0.31
MLOGP
-0.27
XLogP3
-0.31
Consensus LogP
-0.3
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-4.42

Drug-likeness / Medicinal Chemistry

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

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