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CAS 1115-65-7 L-CYSTEINESULFINIC ACID molecular structure lightbox
CAS RN: 1115-65-7

L-CYSTEINESULFINIC ACID

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250820 10mg In stock Shanghai, Hebei Inquiry
Batchno.20260516 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1115-65-7
  • Purity/Analytical Methods: >99.0%
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1115-65-7 / (2R)-2-amino-3-sulfinopropanoic acid

Cysteine sulfinic acid | Alanine, 3-sulfino- | Cysteine hydrogen sulfite ester

Standard CAS: 1115-65-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1115-65-7
Multi CAS
Yes
Molecular Formula
C3H7NO4S
Molecular Weight
153.160000
Exact Mass
153.009579
SMILES
C([C@@H](C(=O)O)N)S(=O)O
InChI
InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1
InChIKey
ADVPTQAUNPRNPO-REOHCLBHSA-N
Synonyms
Cysteine sulfinic acid Alanine, 3-sulfino- Cysteine hydrogen sulfite ester UZY4HYK4ZX Alanine 3-sulfinic acid

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
31.25
TPSA
100.62

LogP / Solubility

WLOGP
-1.38
MLOGP
-1.22
XLogP3
-4.2
Consensus LogP
-2.27
Log S (ESOL)
0.28
Class (ESOL)
Highly soluble
Log S (Ali)
0.18
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.13
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)
-4.63

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
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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