[email protected]
CAS 864763-36-0 (6′-Methyl-8′-oxo-3′,4′-dihydro-8’H-spiro[cyclohex ane-1,2′-pyrano[3,2-g]chromen]-7′-yl)acetic acid molecular structure lightbox
CAS RN: 864763-36-0

(6′-Methyl-8′-oxo-3′,4′-dihydro-8’H-spiro[cyclohex ane-1,2′-pyrano[3,2-g]chromen]-7′-yl)acetic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250710 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS864763-36-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

864763-36-0 / 2-(6-methyl-8-oxospiro[3,4-dihydropyrano[3,2-g]chromene-2,1'-cyclohexane]-7-yl)acetic acid

Standard CAS: 864763-36-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
864763-36-0
Multi CAS
No
Molecular Formula
C20H22O5
Molecular Weight
342.400000
Exact Mass
342.146724
InChI
InChI=1S/C20H22O5/c1-12-14-9-13-5-8-20(6-3-2-4-7-20)25-16(13)11-17(14)24-19(23)15(12)10-18(21)22/h9,11H,2-8,10H2,1H3,(H,21,22)
InChIKey
DNRIWPCBIREDLI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
93.33
TPSA
76.74

LogP / Solubility

WLOGP
3.76
MLOGP
3.32
XLogP3
3.3
Consensus LogP
3.46
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14

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
4

Customers Also Viewed

Get In Touch

Contact Us