[email protected]
CAS 327601-97-8 Macrocarpal L molecular structure lightbox
CAS RN: 327601-97-8

Macrocarpal L

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250419 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS327601-97-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

327601-97-8 / 5-[(1R)-1-[(1aS,3aS,4S,7R,7aR,7bS)-7-hydroxy-1,1,3a,7-tetramethyl-1a,2,3,4,5,6,7a,7b-octahydrocyclopropa[a]naphthalen-4-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde

Standard CAS: 327601-97-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
327601-97-8
Multi CAS
Yes
Molecular Formula
C28H40O6
Molecular Weight
472.600000
Exact Mass
472.282489
InChI
InChI=1S/C28H40O6/c1-14(2)11-15(20-23(32)16(12-29)22(31)17(13-30)24(20)33)18-8-10-28(6,34)25-21-19(26(21,3)4)7-9-27(18,25)5/h12-15,18-19,21,25,31-34H,7-11H2,1-6H3/t15-,18+,19+,21+,25-,27+,28-/m1/s1
InChIKey
HWFSHYBHNVCQPE-XRTAJGAOSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
4
Molar refractivity
129.35
TPSA
115.06

LogP / Solubility

WLOGP
5.41
MLOGP
4.79
XLogP3
6.4
Consensus LogP
5.53
Log S (ESOL)
-5.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.94
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

Customers Also Viewed

Get In Touch

Contact Us