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CAS 208538-73-2 Micafungin sodium molecular structure lightbox
CAS RN: 208538-73-2

Micafungin sodium

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8 package records7 with current stock3 grade groups
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Batchno.20250621 100mg In stock Inquiry
Batchno.20260601 10mg In stock Inquiry
Batchno.20250201 250mg In stock Inquiry
Batchno.20250702 25mg In stock Inquiry
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Batchno.20251125 5mg In stock Inquiry
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Batchno.20260403 1ml Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260401 5mg / 10mg / 25mg / 50mg / 250mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS208538-73-2
  • Purity/Analytical Methods: >99.0%
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208538-73-2 / sodium [5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-[[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoyl]amino]-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl] sulfate

Standard CAS: 208538-73-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
208538-73-2
Multi CAS
No
Molecular Formula
C56H70N9NaO23S
Molecular Weight
1292.300000
Exact Mass
1291.420295
SMILES
CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC(=C(C=C7)O)OS(=O)(=O)[O-])O)O)[C@@H](CC(=O)N)O)C)O)O)O.[Na+]
InChI
InChI=1S/C56H71N9O23S.Na/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76;/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85);/q;+1/p-1/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+;/m0./s1
InChIKey
KOOAFHGJVIVFMZ-WZPXRXMFSA-M

Computed Properties

Structural Parameters

Heavy atom count
90
Aromatic heavy atom count
23
Fraction Csp3
0.48
Rotatable bonds
18
H-bond acceptors
24
H-bond donors
15
Molar refractivity
301.91
TPSA
512.97

LogP / Solubility

WLOGP
-7.24
MLOGP
-6.24
XLogP3
-7.24
Consensus LogP
-6.91
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly soluble

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)
-15.74

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

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