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CAS 28636-21-7 monensin methyl ester molecular structure lightbox
CAS RN: 28636-21-7

monensin methyl ester

  • Product code: SSC-130116
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 28636-21-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

28636-21-7 / methyl (2R,3S,4R)-4-[(2R,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2S,3R,5S)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoate

Standard CAS: 28636-21-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28636-21-7
Multi CAS
Yes
Molecular Formula
C37H64O11
Molecular Weight
684.900000
Exact Mass
684.444863
InChI
InChI=1S/C37H64O11/c1-11-35(32-21(3)17-27(44-32)29-20(2)16-22(4)37(41,19-38)47-29)13-12-28(45-35)34(8)14-15-36(48-34)18-26(39)23(5)31(46-36)24(6)30(42-9)25(7)33(40)43-10/h20-32,38-39,41H,11-19H2,1-10H3/t20-,21+,22+,23+,24+,25+,26-,27-,28+,29-,30-,31-,32-,34+,35-,36+,37-/m0/s1
InChIKey
PFRZSHIENRKVSE-RJTHVKINSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Fraction Csp3
0.97
Rotatable bonds
10
H-bond acceptors
11
H-bond donors
3
Molar refractivity
176.68
TPSA
142.37

LogP / Solubility

WLOGP
4.36
MLOGP
3.9
XLogP3
4.5
Consensus LogP
4.25
Log S (ESOL)
-6.17
Class (ESOL)
Insoluble
Log S (Ali)
-8.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.93
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)
-3.8

Drug-likeness / Medicinal Chemistry

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

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