[email protected]
CAS 108883-90-5 2-METHOXY-4-(6-NITRO-1H-BENZO[D]IMIDAZOL-2-YL)PHENOL molecular structure lightbox
CAS RN: 108883-90-5

2-METHOXY-4-(6-NITRO-1H-BENZO[D]IMIDAZOL-2-YL)PHENOL

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250826 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS108883-90-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

108883-90-5 / 2-methoxy-4-(6-nitro-1H-benzimidazol-2-yl)phenol

2-METHOXY-4-(6-NITRO-1H-BENZO[D]IMIDAZOL-2-YL)PHENOL | CB096 | MFCD01422240

Standard CAS: 108883-90-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108883-90-5
Multi CAS
No
Molecular Formula
C14H11N3O4
Molecular Weight
285.250000
Exact Mass
285.074956
SMILES
COC1=C(C=CC(=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C14H11N3O4/c1-21-13-6-8(2-5-12(13)18)14-15-10-4-3-9(17(19)20)7-11(10)16-14/h2-7,18H,1H3,(H,15,16)
InChIKey
LSNPOGOZVAHETR-UHFFFAOYSA-N
Synonyms
2-METHOXY-4-(6-NITRO-1H-BENZO[D]IMIDAZOL-2-YL)PHENOL CB096 MFCD01422240 2-methoxy-4-(6-nitro-1H-benzimidazol-2-yl)phenol 2-Methoxy-4-(5-nitro-1H-benzo[d]imidazol-2-yl)phenol

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
76.4
TPSA
101.28

LogP / Solubility

WLOGP
2.85
MLOGP
2.52
XLogP3
2.6
Consensus LogP
2.66
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

Customers Also Viewed

Get In Touch

Contact Us