[email protected]
CAS 1188398-15-3 Ustusolate C molecular structure lightbox
CAS RN: 1188398-15-3

Ustusolate C

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250822 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1188398-15-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1188398-15-3 / [(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E)-7-hydroxyocta-2,4-dienoate

USTUSOLATE C | [(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E)-7-hydroxyocta-2,4-dienoate | ((5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo(e)(2)benzofuran-5-yl) (2E,4E)-7-hydroxyocta-2,4-dienoate

Standard CAS: 1188398-15-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1188398-15-3
Multi CAS
Yes
Molecular Formula
C23H32O6
Molecular Weight
404.500000
Exact Mass
404.219889
SMILES
CC(C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@@]2([C@@]3([C@@H]1C(CCC3)(C)C)C)O)O
InChI
InChI=1S/C23H32O6/c1-15(24)9-6-5-7-10-18(25)29-17-13-16-14-28-20(26)23(16,27)22(4)12-8-11-21(2,3)19(17)22/h5-7,10,13,15,17,19,24,27H,8-9,11-12,14H2,1-4H3/b6-5+,10-7+/t15?,17-,19+,22+,23+/m1/s1
InChIKey
GWQSYRUODDDVOT-WMQXXUAISA-N
Synonyms
USTUSOLATE C [(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E)-7-hydroxyocta-2,4-dienoate ((5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo(e)(2)benzofuran-5-yl) (2E,4E)-7-hydroxyocta-2,4-dienoate (5R,5AS,9as,9BS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-1H,3H,5H,5ah,6H,7H,8H,9H,9ah,9BH-naphtho(1,2-c)furan-5-yl (2E,4E)-7-hydroxyocta-2,4-dienoic acid (5R,5AS,9as,9BS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-1H,3H,5H,5ah,6H,7H,8H,9H,9ah,9BH-naphtho[1,2-c]furan-5-yl (2E,4E)-7-hydroxyocta-2,4-dienoic acid

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.65
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
107.68
TPSA
93.06

LogP / Solubility

WLOGP
2.84
MLOGP
2.53
XLogP3
3.2
Consensus LogP
2.86
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.17

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
5

Customers Also Viewed

Get In Touch

Contact Us