[email protected]
CAS 91021-66-8 leucanicidin molecular structure lightbox
CAS RN: 91021-66-8

leucanicidin

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260512 500μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS91021-66-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

91021-66-8 / 16-[4-[4-(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy-2-hydroxy-5-methyl-6-propan-2-yloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one

Standard CAS: 91021-66-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91021-66-8
Multi CAS
Yes
Molecular Formula
C42H70O13
Molecular Weight
783.000000
Exact Mass
782.481642
InChI
InChI=1S/C42H70O13/c1-21(2)37-26(7)32(53-41-39(51-13)36(46)35(45)29(10)52-41)20-42(48,55-37)28(9)34(44)27(8)38-30(49-11)16-14-15-22(3)17-24(5)33(43)25(6)18-23(4)19-31(50-12)40(47)54-38/h14-16,18-19,21,24-30,32-39,41,43-46,48H,17,20H2,1-13H3
InChIKey
KFLYTTUTONVURR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
55
Fraction Csp3
0.79
Rotatable bonds
10
H-bond acceptors
13
H-bond donors
5
Molar refractivity
206.17
TPSA
182.83

LogP / Solubility

WLOGP
4.2
MLOGP
3.76
XLogP3
5.5
Consensus LogP
4.49
Log S (ESOL)
-6.68
Class (ESOL)
Insoluble
Log S (Ali)
-9.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.43
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.52

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us