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CAS 71827-03-7 Avermectin A1a, 5-O-demethyl-22,23-dihydro- molecular structure lightbox
CAS RN: 71827-03-7

Avermectin A1a, 5-O-demethyl-22,23-dihydro-

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251116 100mg In stock Shanghai Inquiry
Batchno.20250201 10mg In stock Shanghai Inquiry
Batchno.20250207 1mg In stock Shanghai Inquiry
Batchno.20251225 25mg In stock Shanghai Inquiry
Batchno.20250624 50mg In stock Shanghai Inquiry
Batchno.20250208 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250125 5mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS71827-03-7
  • Purity/Analytical Methods: >99.0%
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71827-03-7 / (1R,4S,5'S,6R,6'R,8R,12S,13S,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one

Standard CAS: 71827-03-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71827-03-7
Multi CAS
Yes
Molecular Formula
C48H74O14
Molecular Weight
875.100000
Exact Mass
874.507857
InChI
InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
InChIKey
AZSNMRSAGSSBNP-VRFQAOMKSA-N

Computed Properties

Structural Parameters

Heavy atom count
62
Fraction Csp3
0.81
Rotatable bonds
8
H-bond acceptors
14
H-bond donors
3
Molar refractivity
227.4
TPSA
170.06

LogP / Solubility

WLOGP
5.6
MLOGP
5.01
XLogP3
4.1
Consensus LogP
4.9
Log S (ESOL)
-8.27
Class (ESOL)
Insoluble
Log S (Ali)
-10.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.96
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)
-4.08

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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