[email protected]
CAS 2351-36-2 2,6-Naphthalenedicarbonyldichloride molecular structure lightbox
CAS RN: 2351-36-2

2,6-Naphthalenedicarbonyldichloride

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260518 10g In stock Shanghai Inquiry
Batchno.20260404 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260618 25g In stock Shanghai Inquiry
Batchno.20260501 5g In stock Shanghai Inquiry
  • Product code: LINN887432
GET A QUOTE

2351-36-2 / naphthalene-2,6-dicarbonyl chloride

Standard CAS: 2351-36-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2351-36-2
Multi CAS
No
Molecular Formula
C12H6Cl2O2
Molecular Weight
253.080000
Exact Mass
251.974485
SMILES
C1=CC2=C(C=CC(=C2)C(=O)Cl)C=C1C(=O)Cl
InChI
InChI=1S/C12H6Cl2O2/c13-11(15)9-3-1-7-5-10(12(14)16)4-2-8(7)6-9/h1-6H
InChIKey
NZZGQZMNFCTNAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
64.32
TPSA
34.14

LogP / Solubility

WLOGP
3.6
MLOGP
3.17
XLogP3
4.2
Consensus LogP
3.66
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us