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CAS 233279-39-5 Glycoborinine molecular structure lightbox
CAS RN: 233279-39-5

Glycoborinine

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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_CAS233279-39-5
  • Purity/Analytical Methods: >99.0%
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233279-39-5 / 3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol

Standard CAS: 233279-39-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
233279-39-5
Multi CAS
No
Molecular Formula
C18H17NO2
Molecular Weight
279.300000
Exact Mass
279.125929
SMILES
CC1=CC2=C(C=C1O)NC3=C2C4=C(C=C3)OC(C=C4)(C)C
InChI
InChI=1S/C18H17NO2/c1-10-8-12-14(9-15(10)20)19-13-4-5-16-11(17(12)13)6-7-18(2,3)21-16/h4-9,19-20H,1-3H3
InChIKey
KGHHJTRYOSFBOZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
13
Fraction Csp3
0.22
H-bond acceptors
2
H-bond donors
2
Molar refractivity
85.95
TPSA
45.25

LogP / Solubility

WLOGP
4.52
MLOGP
3.99
XLogP3
4.3
Consensus LogP
4.27
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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