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CAS 10075-61-3 Naphthalene, 1,3-dimethoxy- molecular structure lightbox
CAS RN: 10075-61-3

Naphthalene, 1,3-dimethoxy-

  • Product code: SSC-001462
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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 10075-61-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

10075-61-3 / 1,3-dimethoxynaphthalene

1,3-dimethoxynaphthalene | DTXSID50357894 | RefChem:218667

Standard CAS: 10075-61-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10075-61-3
Multi CAS
No
Molecular Formula
C12H12O2
Molecular Weight
188.220000
Exact Mass
188.083730
SMILES
COC1=CC2=CC=CC=C2C(=C1)OC
InChI
InChI=1S/C12H12O2/c1-13-10-7-9-5-3-4-6-11(9)12(8-10)14-2/h3-8H,1-2H3
InChIKey
XAVOEDQPSYWNHI-UHFFFAOYSA-N
Synonyms
1,3-dimethoxynaphthalene DTXSID50357894 RefChem:218667 DTXCID80308950 Naphthalene, 1,3-dimethoxy-

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
57.05
TPSA
18.46

LogP / Solubility

WLOGP
2.86
MLOGP
2.51
XLogP3
2.6
Consensus LogP
2.66
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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