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CAS 11078-21-0 FILIPIN COMPLEX molecular structure lightbox
CAS RN: 11078-21-0

FILIPIN COMPLEX

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251211 25mg In stock Shanghai Inquiry
Batchno.20250815 5mg In stock Shanghai, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250824 10mg In stock Inquiry
Batchno.20251024 250mg In stock Inquiry
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Batchno.20260315 5mg In stock Inquiry
  • Product code: starshine_CAS11078-21-0
  • Purity/Analytical Methods: >99.0%
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11078-21-0 / (3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)-4,6,8,10,12,14,16,27-octahydroxy-3-[(1R)-1-hydroxyhexyl]-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one

FILIPIN III

Standard CAS: 11078-21-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
11078-21-0
Multi CAS
Yes
Molecular Formula
C35H58O11
Molecular Weight
654.800000
Exact Mass
654.397913
SMILES
CCCCC[C@H]([C@@H]1[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@@H](/C(=C/C=C/C=C/C=C/C=C/[C@@H]([C@H](OC1=O)C)O)/C)O)O)O)O)O)O)O)O
InChI
InChI=1S/C35H58O11/c1-4-5-11-16-31(42)34-33(44)22-29(40)20-27(38)18-25(36)17-26(37)19-28(39)21-32(43)23(2)14-12-9-7-6-8-10-13-15-30(41)24(3)46-35(34)45/h6-10,12-15,24-34,36-44H,4-5,11,16-22H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,23-14+/t24-,25+,26-,27+,28-,29+,30+,31-,32+,33+,34-/m1/s1
InChIKey
IMQSIXYSKPIGPD-YQRUMEKGSA-N
Synonyms
FILIPIN III

Computed Properties

Structural Parameters

Heavy atom count
46
Fraction Csp3
0.69
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
9
Molar refractivity
175.27
TPSA
208.37

LogP / Solubility

WLOGP
1.89
MLOGP
1.72
XLogP3
3.2
Consensus LogP
2.27
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.08
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
No
Log Kp (skin permeation)
-5.37

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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