[email protected]
CAS 253863-19-3 LL Z1640-2 molecular structure lightbox
CAS RN: 253863-19-3

LL Z1640-2

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260608 1mg In stock Shanghai, Guangdong, Hebei Inquiry
Batchno.20260219 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS253863-19-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

253863-19-3 / (4S,6E,9S,10S,12E)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione

Standard CAS: 253863-19-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
253863-19-3
Multi CAS
No
Molecular Formula
C19H22O7
Molecular Weight
362.400000
Exact Mass
362.136553
SMILES
C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O
InChI
InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1
InChIKey
NEQZWEXWOFPKOT-BYRRXHGESA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.37
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
3
Molar refractivity
93.96
TPSA
113.29

LogP / Solubility

WLOGP
1.6
MLOGP
1.43
XLogP3
2.6
Consensus LogP
1.88
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly 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)
-3.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

Customers Also Viewed

Get In Touch

Contact Us