CAS RN: 7381-67-1
H-CYS(SO3H)-OH SODIUM SALT
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS7381-67-1
- Purity/Analytical Methods: >99.0%
7381-67-1 / sodium (2R)-2-amino-3-sulfosulfanylpropanoate
Basic Information
CAS
7381-67-1
Multi CAS
Yes
Molecular Formula
C3H6NNAO5S2
Molecular Weight
223.200000
Exact Mass
222.958509
InChI
InChI=1S/C3H7NO5S2.Na/c4-2(3(5)6)1-10-11(7,8)9;/h2H,1,4H2,(H,5,6)(H,7,8,9);/q;+1/p-1/t2-;/m0./s1
InChIKey
DQFVBELGDROGDO-DKWTVANSSA-M
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
36.99
TPSA
120.52
LogP / Solubility
WLOGP
-5.4
MLOGP
-4.75
XLogP3
-5.4
Consensus LogP
-5.18
Log S (ESOL)
2.44
Class (ESOL)
Highly soluble
Log S (Ali)
2.51
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.89
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)
-7.91
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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