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CAS 71831-00-0 SATIVAN molecular structure lightbox
CAS RN: 71831-00-0

SATIVAN

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Batchno.20250529 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS71831-00-0
  • Purity/Analytical Methods: >99.0%
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71831-00-0 / (3R)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

Standard CAS: 71831-00-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71831-00-0
Multi CAS
Yes
Molecular Formula
C17H18O4
Molecular Weight
286.320000
Exact Mass
286.120509
InChI
InChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m0/s1
InChIKey
TUXCLJQCYVCGDW-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
79.59
TPSA
47.92

LogP / Solubility

WLOGP
3.13
MLOGP
2.76
XLogP3
3.3
Consensus LogP
3.06
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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