[email protected]
CAS 187865-22-1 derquantel molecular structure lightbox
CAS RN: 187865-22-1

derquantel

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260602 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS187865-22-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

187865-22-1 / (1S,6R,7R,9S,11R)-6-hydroxy-4',4',6,10,10,13-hexamethylspiro[3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane-11,8'-9,10-dihydro-[1,4]dioxepino[2,3-g]indole]-14-one

Standard CAS: 187865-22-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
187865-22-1
Multi CAS
No
Molecular Formula
C28H37N3O4
Molecular Weight
479.600000
Exact Mass
479.278407
SMILES
C[C@]1(CCN2[C@]13C[C@@H]4[C@](C2)(C[C@]5(C4(C)C)CNC6=C5C=CC7=C6OC=CC(O7)(C)C)N(C3=O)C)O
InChI
InChI=1S/C28H37N3O4/c1-23(2)10-12-34-21-18(35-23)8-7-17-20(21)29-15-26(17)14-27-16-31-11-9-25(5,33)28(31,22(32)30(27)6)13-19(27)24(26,3)4/h7-8,10,12,19,29,33H,9,11,13-16H2,1-6H3/t19-,25+,26-,27+,28-/m0/s1
InChIKey
DYVLXWPZFQQUIU-WGNDVSEMSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
6
Fraction Csp3
0.68
H-bond acceptors
6
H-bond donors
2
Molar refractivity
132.64
TPSA
74.27

LogP / Solubility

WLOGP
3.27
MLOGP
2.91
XLogP3
2.8
Consensus LogP
2.99
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.49
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us