[email protected]
CAS 1207181-61-0 Scutebata E molecular structure lightbox
CAS RN: 1207181-61-0

Scutebata E

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250406 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1207181-61-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1207181-61-0 / [(3S,4aR,5S,6R,6aR,10R,10aS,10bR)-5,6-diacetyloxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-10-yl] 2-methylpropanoate

Scutebata E | [(3S,4aR,5S,6R,6aR,10R,10aS,10bR)-5,6-diacetyloxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-10-yl] 2-methylpropanoate | HY-N1268

Standard CAS: 1207181-61-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1207181-61-0
Multi CAS
Yes
Molecular Formula
C28H40O9
Molecular Weight
520.600000
Exact Mass
520.267233
SMILES
CC1=CC[C@H]([C@H]2[C@]1([C@H]([C@@H]([C@]3([C@@]2(CC[C@]4(O3)CC(=O)OC4)C)C)OC(=O)C)OC(=O)C)C)OC(=O)C(C)C
InChI
InChI=1S/C28H40O9/c1-15(2)24(32)36-19-10-9-16(3)26(7)21(19)25(6)11-12-28(13-20(31)33-14-28)37-27(25,8)23(35-18(5)30)22(26)34-17(4)29/h9,15,19,21-23H,10-14H2,1-8H3/t19-,21-,22+,23+,25-,26+,27+,28+/m1/s1
InChIKey
HGPSPRNFABBWFI-URBRYQCVSA-N
Synonyms
Scutebata E [(3S,4aR,5S,6R,6aR,10R,10aS,10bR)-5,6-diacetyloxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-10-yl] 2-methylpropanoate HY-N1268 AKOS032948147 FS-10232

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.79
Rotatable bonds
4
H-bond acceptors
9
Molar refractivity
130.94
TPSA
114.43

LogP / Solubility

WLOGP
3.66
MLOGP
3.26
XLogP3
3.3
Consensus LogP
3.41
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.57
Class (SILICOS-IT)
Insoluble

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)
-3.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5

Customers Also Viewed

Get In Touch

Contact Us