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CAS 887333-30-4 Hebeirubescensin H molecular structure lightbox
CAS RN: 887333-30-4

Hebeirubescensin H

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260509 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS887333-30-4
  • Purity/Analytical Methods: >99.0%
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887333-30-4 / 9,10,15,16,18-pentahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

Standard CAS: 887333-30-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
887333-30-4
Multi CAS
Yes
Molecular Formula
C20H28O7
Molecular Weight
380.400000
Exact Mass
380.183503
InChI
InChI=1S/C20H28O7/c1-8-9-4-5-10-18-11(21)6-7-17(2,3)12(18)15(24)20(26,27-16(18)25)19(10,13(8)22)14(9)23/h9-12,14-16,21,23-26H,1,4-7H2,2-3H3
InChIKey
BTWFVPFIPDEZTE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.85
H-bond acceptors
7
H-bond donors
5
Molar refractivity
91.79
TPSA
127.45

LogP / Solubility

WLOGP
-0.31
MLOGP
-0.25
XLogP3
-0.4
Consensus LogP
-0.32
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.26

Drug-likeness / Medicinal Chemistry

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

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