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CAS 31828-68-9 L-HOMOCYSTEINE THIOLACTONE HYDROCHLORIDE molecular structure lightbox
CAS RN: 31828-68-9

L-HOMOCYSTEINE THIOLACTONE HYDROCHLORIDE

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251006 1ml Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250415 100mg In stock Shanghai, Wuhan Inquiry
Batchno.20250208 10mg / 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Hebei, Shandong 5-7 business days Inquiry
Batchno.20260629 1g In stock Shanghai Inquiry
Batchno.20251228 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250512 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS31828-68-9
  • Purity/Analytical Methods: >99.0%
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31828-68-9 / 3-aminothiolan-2-one;hydrochloride

Standard CAS: 31828-68-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31828-68-9
Multi CAS
Yes
Molecular Formula
C4H8CLNOS
Molecular Weight
153.630000
Exact Mass
153.001513
InChI
InChI=1S/C4H7NOS.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H/t3-;/m0./s1
InChIKey
ZSEGSUBKDDEALH-DFWYDOINSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.31
TPSA
43.09

LogP / Solubility

WLOGP
0.4
MLOGP
0.35
XLogP3
0.4
Consensus LogP
0.38
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37

Drug-likeness / Medicinal Chemistry

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

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