[email protected]
CAS 102792-38-1 9-ETHYL-3-ETHYNYL-9H-CARBAZOLE molecular structure lightbox
CAS RN: 102792-38-1

9-ETHYL-3-ETHYNYL-9H-CARBAZOLE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260305 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS102792-38-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

102792-38-1 / 9-ethyl-3-ethynylcarbazole

9-ETHYL-3-ETHYNYL-9H-CARBAZOLE | DTXSID50699665 | RefChem:313098

Standard CAS: 102792-38-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
102792-38-1
Multi CAS
No
Molecular Formula
C16H13N
Molecular Weight
219.280000
Exact Mass
219.104799
SMILES
CCN1C2=C(C=C(C=C2)C#C)C3=CC=CC=C31
InChI
InChI=1S/C16H13N/c1-3-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16)4-2/h1,5-11H,4H2,2H3
InChIKey
GSABLKFBUDPGEP-UHFFFAOYSA-N
Synonyms
9-ETHYL-3-ETHYNYL-9H-CARBAZOLE DTXSID50699665 RefChem:313098 DTXCID10650414 9-ethyl-3-ethynylcarbazole

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
13
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
73.05
TPSA
4.93

LogP / Solubility

WLOGP
3.8
MLOGP
3.34
XLogP3
3.9
Consensus LogP
3.68
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
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)
-1.36

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us