[email protected]
CAS 32860-56-3 Mono-6-O-(p-toluenesulfonyl)-α-cyclodextrin molecular structure lightbox
CAS RN: 32860-56-3

Mono-6-O-(p-toluenesulfonyl)-α-cyclodextrin

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250417 250mg Out of stock 5-7 business days Inquiry
  • Product code: ICTM1644
  • Purity/Analytical Methods: >85.0%(HPLC)
GET A QUOTE

32860-56-3 / [31,32,33,34,35,36,37,38,39,40,41,42-dodecahydroxy-10,15,20,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methyl 4-methylbenzenesulfonate

Standard CAS: 32860-56-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32860-56-3
Multi CAS
Yes
Molecular Formula
C43H66O32S
Molecular Weight
1127.000000
Exact Mass
1126.325791
InChI
InChI=1S/C43H66O32S/c1-12-2-4-13(5-3-12)76(61,62)63-11-19-37-25(54)31(60)43(69-19)74-36-18(10-48)67-41(29(58)23(36)52)72-34-16(8-46)65-39(27(56)21(34)50)70-32-14(6-44)64-38(26(55)20(32)49)71-33-15(7-45)66-40(28(57)22(33)51)73-35-17(9-47)68-42(75-37)30(59)24(35)53/h2-5,14-60H,6-11H2,1H3
InChIKey
ARQITQMHQNGIEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
76
Aromatic heavy atom count
6
Fraction Csp3
0.86
Rotatable bonds
9
H-bond acceptors
32
H-bond donors
17
Molar refractivity
233.03
TPSA
498.04

LogP / Solubility

WLOGP
-11.33
MLOGP
-9.86
XLogP3
-10.8
Consensus LogP
-10.66
Log S (ESOL)
0.85
Class (ESOL)
Highly soluble
Log S (Ali)
-0.62
Class (Ali)
Very soluble
Log S (SILICOS-IT)
1.34
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)
-17.64

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