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CAS 103963-58-2 Catechol-d4 molecular structure lightbox
CAS RN: 103963-58-2

Catechol-d4

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250129 10mg In stock Inquiry
Batchno.20260531 50mg In stock Inquiry
Batchno.20251106 5mg Out of stock Inquiry
  • Product code: SSC-005620
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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 103963-58-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

103963-58-2 / 3,4,5,6-tetradeuteriobenzene-1,2-diol

catechol | pyrocatechol | 1,2-dihydroxybenzene

Standard CAS: 103963-58-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103963-58-2
Multi CAS
Yes
Molecular Formula
C6H6O2
Molecular Weight
114.130000
Exact Mass
114.061886
SMILES
[2H]C1=C(C(=C(C(=C1[2H])O)O)[2H])[2H]
InChI
InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/i1D,2D,3D,4D
InChIKey
YCIMNLLNPGFGHC-RHQRLBAQSA-N
Synonyms
catechol pyrocatechol 1,2-dihydroxybenzene 1,2-benzenediol benzene-1,2-diol

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
29.77
TPSA
40.46

LogP / Solubility

WLOGP
1.1
MLOGP
0.96
XLogP3
0.9
Consensus LogP
0.99
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
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)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H301+H311 (100%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal] H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P203, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P405, and P501

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