[email protected]
CAS 321897-67-0 L4-L4 molecular structure lightbox
CAS RN: 321897-67-0

L4-L4

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260502 1g Out of stock 30 business days Inquiry
  • Product code: ICTL0286
GET A QUOTE

321897-67-0 / tetrasodium;[6-[5-acetamido-6-[2-[5-acetamido-4,6-dihydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl sulfate

Standard CAS: 321897-67-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
321897-67-0
Multi CAS
No
Molecular Formula
C28H44N2NA4O33S4
Molecular Weight
1156.900000
Exact Mass
1156.029994
InChI
InChI=1S/C28H48N2O33S4.4Na/c1-7(31)29-13-17(35)22(11(57-25(13)40)5-55-66(47,48)49)62-28-21(39)24(16(34)10(59-28)4-54-65(44,45)46)63-26-14(30-8(2)32)18(36)23(12(60-26)6-56-67(50,51)52)61-27-20(38)19(37)15(33)9(58-27)3-53-64(41,42)43;;;;/h9-28,33-40H,3-6H2,1-2H3,(H,29,31)(H,30,32)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4
InChIKey
CWPZPIPZYWHAEX-UHFFFAOYSA-J

Computed Properties

Structural Parameters

Heavy atom count
71
Fraction Csp3
0.93
Rotatable bonds
20
H-bond acceptors
33
H-bond donors
10
Molar refractivity
191.34
TPSA
550.37

LogP / Solubility

WLOGP
-23.51
MLOGP
-20.57
XLogP3
-23.51
Consensus LogP
-22.53
Log S (ESOL)
9.12
Class (ESOL)
Highly soluble
Log S (Ali)
7.93
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
9.93
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-26.47

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
10

Customers Also Viewed

Get In Touch

Contact Us