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CAS 1563-79-7 ACETIC-1-13C ACID molecular structure lightbox
CAS RN: 1563-79-7

ACETIC-1-13C ACID

Product Availability

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250623 1g Out of stock Inquiry
Batchno.20251204 250mg In stock Inquiry
Batchno.20260607 50mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260421 250mg In stock Shanghai Inquiry
Batchno.20250822 50mg In stock Shanghai, Hebei Inquiry
  • Product code: SSC-065323
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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 1563-79-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

1563-79-7 / acetic acid

Standard CAS: 1563-79-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1563-79-7
Multi CAS
No
Molecular Formula
C2H4O2
Molecular Weight
61.045000
Exact Mass
61.024484
SMILES
C[13C](=O)O
InChI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i2+1
InChIKey
QTBSBXVTEAMEQO-VQEHIDDOSA-N

Computed Properties

Structural Parameters

Heavy atom count
4
Fraction Csp3
0.5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
13.31
TPSA
37.3

LogP / Solubility

WLOGP
0.09
MLOGP
0.06
XLogP3
-0.2
Consensus LogP
-0.02
Log S (ESOL)
-0.27
Class (ESOL)
Very soluble
Log S (Ali)
-0.12
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.13
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)
-3.02

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Corrosive Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H312 (97.4%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H331 (97.4%): Toxic if inhaled [Danger Acute toxicity, inhalation] H412 (97.4%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501

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