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CAS 1394-48-5 Guan-fu base A molecular structure lightbox
CAS RN: 1394-48-5

Guan-fu base A

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250131 10mg Out of stock Inquiry
Batchno.20251004 25mg Out of stock Inquiry
Batchno.20250115 50mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260311 5mg / 20mg Confirm by inquiry Shandong Inquiry
  • Product code: starshine_CAS1394-48-5
  • Purity/Analytical Methods: >99.0%
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1394-48-5 / [(1S,3S,5S,8S,9R,11R,14R,16S,17R,18S,19S)-10-acetyloxy-9,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] acetate

Standard CAS: 1394-48-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1394-48-5
Multi CAS
No
Molecular Formula
C24H31NO6
Molecular Weight
429.500000
Exact Mass
429.215138
SMILES
CC(=O)O[C@H]1C[C@@]2(CN3[C@@H]4[C@H]2[C@]5(C1)[C@H]3[C@]6(C([C@H]7[C@H]([C@@H]5[C@]6(C4)CC7=C)O)OC(=O)C)O)C
InChI
InChI=1S/C24H31NO6/c1-10-5-22-8-14-17-21(4)6-13(30-11(2)26)7-23(17)18(22)16(28)15(10)19(31-12(3)27)24(22,29)20(23)25(14)9-21/h13-20,28-29H,1,5-9H2,2-4H3/t13-,14-,15+,16+,17+,18+,19?,20-,21+,22+,23-,24-/m0/s1
InChIKey
OGNUSOJAYIHLNS-CGMBEVFJSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
2
Molar refractivity
107.4
TPSA
96.3

LogP / Solubility

WLOGP
1.02
MLOGP
0.93
XLogP3
0.6
Consensus LogP
0.85
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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