[email protected]
CAS 24694-80-2 Chlorouvedalin molecular structure lightbox
CAS RN: 24694-80-2

Chlorouvedalin

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260627 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS24694-80-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

24694-80-2 / methyl (3aS,4S,5S,6E,10Z,11aR)-5-acetyloxy-4-(3-chloro-2-hydroxy-2-methylbutanoyl)oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

Standard CAS: 24694-80-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24694-80-2
Multi CAS
No
Molecular Formula
C23H29ClO9
Molecular Weight
484.900000
Exact Mass
484.150010
SMILES
C/C/1=C/[C@@H]2[C@@H]([C@@H]([C@H](/C(=C\CC1)/C(=O)OC)OC(=O)C)OC(=O)C(C)(C(C)Cl)O)C(=C)C(=O)O2
InChI
InChI=1S/C23H29ClO9/c1-11-8-7-9-15(21(27)30-6)18(31-14(4)25)19(33-22(28)23(5,29)13(3)24)17-12(2)20(26)32-16(17)10-11/h9-10,13,16-19,29H,2,7-8H2,1,3-6H3/b11-10-,15-9+/t13?,16-,17+,18+,19+,23?/m1/s1
InChIKey
BQXRLMULBZGQJI-VXIIXAFOSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
1
Molar refractivity
116.97
TPSA
125.43

LogP / Solubility

WLOGP
2.15
MLOGP
1.92
XLogP3
2.1
Consensus LogP
2.06
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
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
No
Log Kp (skin permeation)
-4.15

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
7

Customers Also Viewed

Get In Touch

Contact Us