[email protected]
CAS 288847-34-7 CA1P molecular structure lightbox
CAS RN: 288847-34-7

CA1P

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251006 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS288847-34-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

288847-34-7 / tetrasodium;[3-methoxy-2-phosphonatooxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate

Standard CAS: 288847-34-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
288847-34-7
Multi CAS
Yes
Molecular Formula
C18H18NA4O12P2
Molecular Weight
580.200000
Exact Mass
579.986427
InChI
InChI=1S/C18H22O12P2.4Na/c1-25-13-8-7-12(16(29-31(19,20)21)18(13)30-32(22,23)24)6-5-11-9-14(26-2)17(28-4)15(10-11)27-3;;;;/h5-10H,1-4H3,(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-4/b6-5-;;;;
InChIKey
NRKFVEPAQNCYNJ-YGGCHVFLSA-J

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
10
H-bond acceptors
12
Molar refractivity
104.49
TPSA
181.76

LogP / Solubility

WLOGP
-11.68
MLOGP
-10.23
XLogP3
-11.68
Consensus LogP
-11.2
Log S (ESOL)
4.33
Class (ESOL)
Highly soluble
Log S (Ali)
4.11
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.06
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-14.55

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us