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CAS 35337-98-5 (13R,14R)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione 4-oxide molecular structure lightbox
CAS RN: 35337-98-5

(13R,14R)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione 4-oxide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250220 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS35337-98-5
  • Purity/Analytical Methods: >99.0%
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35337-98-5 / 5,6-dihydroxy-4,5,6-trimethyl-13-oxido-2,8-dioxa-13-azoniatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione

Standard CAS: 35337-98-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35337-98-5
Multi CAS
Yes
Molecular Formula
C16H23NO7
Molecular Weight
341.360000
Exact Mass
341.147452
InChI
InChI=1S/C16H23NO7/c1-9-13(18)24-11-5-7-17(22)6-4-10(12(11)17)8-23-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-,17?/m0/s1
InChIKey
LHVAZUAALQTANZ-ANYXPJNNSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.75
H-bond acceptors
7
H-bond donors
2
Molar refractivity
81.1
TPSA
116.12

LogP / Solubility

WLOGP
-0.38
MLOGP
-0.32
XLogP3
-1.3
Consensus LogP
-0.67
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.56
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)
-5.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
7

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