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CAS 74401-71-1 N,N-diacetylcysteine molecular structure lightbox
CAS RN: 74401-71-1

N,N-diacetylcysteine

  • Product code: SSC-183861
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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: 1g
  • Available purity: ≥95%
  • 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 74401-71-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

74401-71-1 / (2R)-2-(diacetylamino)-3-sulfanylpropanoic acid

Standard CAS: 74401-71-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74401-71-1
Multi CAS
Yes
Molecular Formula
C7H11NO4S
Molecular Weight
205.230000
Exact Mass
205.040879
InChI
InChI=1S/C7H11NO4S/c1-4(9)8(5(2)10)6(3-13)7(11)12/h6,13H,3H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKey
BSWPGDZSMHQEBE-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.48
TPSA
74.68

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.21
XLogP3
-0.6
Consensus LogP
-0.35
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
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)
-4.14

Drug-likeness / Medicinal Chemistry

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

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