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CAS 13677-79-7 3,4,5-Trihydroxybenzaldehyde molecular structure lightbox
CAS RN: 13677-79-7

3,4,5-Trihydroxybenzaldehyde

Product Availability

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16 package records16 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260613 1g In stock Inquiry
Batchno.20260503 250mg In stock Inquiry
Batchno.20250919 25g In stock Inquiry
Batchno.20251031 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260426 100g In stock Shanghai Inquiry
Batchno.20250311 100mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260531 10g In stock Shanghai, Tianjin Inquiry
Batchno.20260325 1g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250301 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250111 250mg In stock Shanghai, Shandong Inquiry
Batchno.20260614 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250303 25g In stock Shanghai, Hebei Inquiry
Batchno.20260606 25g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260428 500g In stock Shanghai Inquiry
Batchno.20260108 5g In stock Shanghai, Guangdong Inquiry
Batchno.20250930 5g In stock Shanghai, Shenzhen, Wuhan Inquiry
  • Product code: SSC-045767
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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: 5g
  • Available purity: ≥98%
  • 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 13677-79-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

13677-79-7 / 3,4,5-trihydroxybenzaldehyde

Standard CAS: 13677-79-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13677-79-7
Multi CAS
No
Molecular Formula
C7H6O4
Molecular Weight
154.120000
Exact Mass
154.026609
SMILES
C1=C(C=C(C(=C1O)O)O)C=O
InChI
InChI=1S/C7H6O4/c8-3-4-1-5(9)7(11)6(10)2-4/h1-3,9-11H
InChIKey
RGZHEOWNTDJLAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
36.82
TPSA
77.76

LogP / Solubility

WLOGP
0.62
MLOGP
0.54
XLogP3
0.6
Consensus LogP
0.59
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.27
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)
-3.22

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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (88.9%): 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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