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CAS 36148-89-7 AmphotericinB molecular structure lightbox
CAS RN: 36148-89-7

AmphotericinB

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Batchno.20251018 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS36148-89-7
  • Purity/Analytical Methods: >99.0%
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36148-89-7 / methyl (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,33R,35S,36R,37S)-33-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate

Standard CAS: 36148-89-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36148-89-7
Multi CAS
Yes
Molecular Formula
C48H75NO17
Molecular Weight
938.100000
Exact Mass
937.503500
InChI
InChI=1S/C48H75NO17/c1-28-18-16-14-12-10-8-6-7-9-11-13-15-17-19-35(65-47-45(59)42(49)44(58)31(4)64-47)25-39-41(46(60)62-5)38(55)27-48(61,66-39)26-34(52)23-37(54)36(53)21-20-32(50)22-33(51)24-40(56)63-30(3)29(2)43(28)57/h6-19,28-39,41-45,47,50-55,57-59,61H,20-27,49H2,1-5H3/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16+,19-17+/t28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,38-,39-,41+,42-,43+,44+,45-,47-,48+/m0/s1
InChIKey
UAZIZEMIKKIBCA-TYVGYKFWSA-N

Computed Properties

Structural Parameters

Heavy atom count
66
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
18
H-bond donors
11
Molar refractivity
241.37
TPSA
308.61

LogP / Solubility

WLOGP
0.8
MLOGP
0.79
XLogP3
2.6
Consensus LogP
1.4
Log S (ESOL)
-5.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.78
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)
-7.87

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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