[email protected]
CAS 10401-59-9 9-ANTHRYLDIAZOMETHANE molecular structure lightbox
CAS RN: 10401-59-9

9-ANTHRYLDIAZOMETHANE

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251117 1mg / 5mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260205 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS10401-59-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

10401-59-9 / 9-(diazomethyl)anthracene

9-Anthryldiazomethane | 9-Diazomethylanthracene | Anthracene, 9-(diazomethyl)-

Standard CAS: 10401-59-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10401-59-9
Multi CAS
No
Molecular Formula
C15H10N2
Molecular Weight
218.250000
Exact Mass
218.084398
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=[N+]=[N-]
InChI
InChI=1S/C15H10N2/c16-17-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H
InChIKey
XXDVOJKRZBNPFN-UHFFFAOYSA-N
Synonyms
9-Anthryldiazomethane 9-Diazomethylanthracene Anthracene, 9-(diazomethyl)- DTXSID40146219 RefChem:107870

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
70.24
TPSA
36.4

LogP / Solubility

WLOGP
3.64
MLOGP
3.21
XLogP3
4.4
Consensus LogP
3.75
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
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)
-1.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
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 (100%): 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

Customers Also Viewed

Get In Touch

Contact Us