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CAS 915921-61-8 CHEMBRDG-BB 4011070 molecular structure lightbox
CAS RN: 915921-61-8

CHEMBRDG-BB 4011070

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Batchno.20260407 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS915921-61-8
  • Purity/Analytical Methods: >99.0%
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915921-61-8 / 2-phenylspiro[2.4]heptane-2-carboxylic acid

Standard CAS: 915921-61-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
915921-61-8
Multi CAS
No
Molecular Formula
C14H16O2
Molecular Weight
216.270000
Exact Mass
216.115030
InChI
InChI=1S/C14H16O2/c15-12(16)14(11-6-2-1-3-7-11)10-13(14)8-4-5-9-13/h1-3,6-7H,4-5,8-10H2,(H,15,16)
InChIKey
IPJKMOYQWMAWPO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.27
TPSA
37.3

LogP / Solubility

WLOGP
2.97
MLOGP
2.62
XLogP3
3.4
Consensus LogP
3
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93

Drug-likeness / Medicinal Chemistry

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

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