[email protected]
CAS 93515-00-5 2-IODOMELATONIN molecular structure lightbox
CAS RN: 93515-00-5

2-IODOMELATONIN

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250510 100mg In stock Shanghai Inquiry
Batchno.20260628 1g Out of stock Inquiry
Batchno.20250315 250mg In stock Shanghai Inquiry
Batchno.20250723 25mg Out of stock 5-7 business days Inquiry
Batchno.20251101 25mg In stock Shanghai Inquiry
Batchno.20250103 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS93515-00-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

93515-00-5 / N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide

Standard CAS: 93515-00-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
93515-00-5
Multi CAS
Yes
Molecular Formula
C13H15In2O2
Molecular Weight
358.170000
Exact Mass
358.017830
InChI
InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
InChIKey
FJDDSMSDZHURBJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
79.96
TPSA
54.12

LogP / Solubility

WLOGP
2.46
MLOGP
2.18
XLogP3
2.3
Consensus LogP
2.31
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us