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CAS 5714-80-7 methyl DL-cysteinate hydrochloride molecular structure lightbox
CAS RN: 5714-80-7

methyl DL-cysteinate hydrochloride

  • Product code: SSC-165255
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5714-80-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

5714-80-7 / methyl 2-amino-3-sulfanylpropanoate;hydrochloride

Standard CAS: 5714-80-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5714-80-7
Multi CAS
Yes
Molecular Formula
C4H10CLNO2S
Molecular Weight
171.650000
Exact Mass
171.012077
InChI
InChI=1S/C4H9NO2S.ClH/c1-7-4(6)3(5)2-8;/h3,8H,2,5H2,1H3;1H
InChIKey
WHOHXJZQBJXAKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41.09
TPSA
52.32

LogP / Solubility

WLOGP
-0.16
MLOGP
-0.15
XLogP3
-0.16
Consensus LogP
-0.16
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.88
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)
-3.88

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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