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CAS 121314-69-0 (R)-2,2′-Dihydroxy-[1,1′-binaphthalene]-3,3′-dicarboxaldehyde, 98%，ee99% molecular structure lightbox
CAS RN: 121314-69-0

(R)-2,2′-Dihydroxy-[1,1′-binaphthalene]-3,3′-dicarboxaldehyde, 98%，ee99%

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260626 25mg / 100mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-023255
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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: 0.25g
  • Available purity: ＞97%
  • 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 121314-69-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

121314-69-0 / 4-(3-formyl-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carbaldehyde

2'-dihydroxy-(1,1'-binaphthalene)-3,3'-dicarbaldehyde | 2'-Dihydroxy-[1,1'-binaphthalene]-3,3'-dicarbaldehyde | RefChem:439639

Standard CAS: 121314-69-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
121314-69-0
Multi CAS
No
Molecular Formula
C22H14O4
Molecular Weight
342.300000
Exact Mass
342.089209
SMILES
C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)C=O)O)O)C=O
InChI
InChI=1S/C22H14O4/c23-11-15-9-13-5-1-3-7-17(13)19(21(15)25)20-18-8-4-2-6-14(18)10-16(12-24)22(20)26/h1-12,25-26H
InChIKey
DENRDANQMQOFEU-UHFFFAOYSA-N
Synonyms
2'-dihydroxy-(1,1'-binaphthalene)-3,3'-dicarbaldehyde 2'-Dihydroxy-[1,1'-binaphthalene]-3,3'-dicarbaldehyde RefChem:439639 858-943-6 (R)-2,2'-Dihydroxy-[1,1'-binaphthalene]-3,3'-dicarboxaldehyde

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
20
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
100.99
TPSA
74.6

LogP / Solubility

WLOGP
4.7
MLOGP
4.15
XLogP3
5.4
Consensus LogP
4.75
Log S (ESOL)
-5.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.14
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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