[email protected]
CAS 2675-77-6 Demosan molecular structure lightbox
CAS RN: 2675-77-6

Demosan

  • Product code: SSC-124897
GET A QUOTE
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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 2675-77-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

2675-77-6 / 1,4-dichloro-2,5-dimethoxybenzene

Standard CAS: 2675-77-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2675-77-6
Multi CAS
No
Molecular Formula
C8H8Cl2O2
Molecular Weight
207.050000
Exact Mass
205.990135
SMILES
COC1=CC(=C(C=C1Cl)OC)Cl
InChI
InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
InChIKey
PFIADAMVCJPXSF-UHFFFAOYSA-N

Physical Properties

Melting Point
271 to 275 °F (NTP, 1992) 133-135 °C
Boiling Point
514 °F at 760 mmHg (NTP, 1992) 268 °C
Density
1.66 (NTP, 1992) - Denser than water; will sink 1.66
Physical Description
Chloroneb appears as white to tan solid or beige powder. Musty odor. (NTP, 1992) Colorless solid with a musty odor; [HSDB] White to tan or beige solid; [CAMEO] Colorless solid
Appearance
Colorless crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
49.57
TPSA
18.46

LogP / Solubility

WLOGP
3.01
MLOGP
2.65
XLogP3
3.1
Consensus LogP
2.92
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly 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)
-1.85

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us