[email protected]
CAS 327622-65-1 Macrocarpal O molecular structure lightbox
CAS RN: 327622-65-1

Macrocarpal O

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260505 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS327622-65-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

327622-65-1 / 2,4,6-trihydroxy-5-[1-[7-(2-hydroxypropan-2-yl)-1,4-dimethyl-3,3a,4,5,6,7-hexahydro-2H-azulen-1-yl]-3-methylbutyl]benzene-1,3-dicarbaldehyde

Standard CAS: 327622-65-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
327622-65-1
Multi CAS
Yes
Molecular Formula
C28H40O6
Molecular Weight
472.600000
Exact Mass
472.282489
InChI
InChI=1S/C28H40O6/c1-15(2)11-22(23-25(32)19(13-29)24(31)20(14-30)26(23)33)28(6)10-9-18-16(3)7-8-17(12-21(18)28)27(4,5)34/h12-18,22,31-34H,7-11H2,1-6H3/t16-,17-,18-,22-,28+/m1/s1
InChIKey
VUKIJLQDSQXHDI-BBHKXTTBSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
4
Molar refractivity
131.51
TPSA
115.06

LogP / Solubility

WLOGP
5.72
MLOGP
5.06
XLogP3
6.2
Consensus LogP
5.66
Log S (ESOL)
-6.04
Class (ESOL)
Insoluble
Log S (Ali)
-7.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.32
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us