[email protected]
CAS 254-03-5 4H-Chromene molecular structure lightbox
CAS RN: 254-03-5

4H-Chromene

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260613 100mg / 250mg Confirm by inquiry Shanghai Inquiry
GET A QUOTE

254-03-5 / 4H-chromene

4H-chromene | 4H-1-Benzopyran | CHEBI:35603

Standard CAS: 254-03-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
254-03-5
Multi CAS
Yes
Molecular Formula
C9H8O
Molecular Weight
132.160000
Exact Mass
132.057515
SMILES
C1C=COC2=CC=CC=C21
InChI
InChI=1S/C9H8O/c1-2-6-9-8(4-1)5-3-7-10-9/h1-4,6-7H,5H2
InChIKey
JCIDEANDDNSHQC-UHFFFAOYSA-N
Synonyms
4H-chromene 4H-1-Benzopyran CHEBI:35603 DTXSID20180050 RefChem:100665

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.11
H-bond acceptors
1
Molar refractivity
39.91
TPSA
9.23

LogP / Solubility

WLOGP
2.14
MLOGP
1.87
XLogP3
2.3
Consensus LogP
2.1
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately 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)
-2.01

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us