[email protected]
CAS 1235481-90-9 P7C3-A20 molecular structure lightbox
CAS RN: 1235481-90-9

P7C3-A20

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250616 100mg In stock Shanghai Inquiry
Batchno.20250607 250mg In stock Shanghai Inquiry
Batchno.20251221 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1235481-90-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1235481-90-9 / N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline

Standard CAS: 1235481-90-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1235481-90-9
Multi CAS
No
Molecular Formula
C22H19Br2FN2O
Molecular Weight
506.200000
Exact Mass
505.982770
SMILES
COC1=CC=CC(=C1)NCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)F
InChI
InChI=1S/C22H19Br2FN2O/c1-28-18-4-2-3-17(11-18)26-12-16(25)13-27-21-7-5-14(23)9-19(21)20-10-15(24)6-8-22(20)27/h2-11,16,26H,12-13H2,1H3
InChIKey
XNLTWMQBJFWQOU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
19
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
121.22
TPSA
26.19

LogP / Solubility

WLOGP
6.78
MLOGP
6
XLogP3
6.7
Consensus LogP
6.49
Log S (ESOL)
-7.35
Class (ESOL)
Insoluble
Log S (Ali)
-8.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.3
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us