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CAS 51211-51-9 ALPHA-CYCLODEXTRIN HYDRATE molecular structure lightbox
CAS RN: 51211-51-9

ALPHA-CYCLODEXTRIN HYDRATE

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260403 100g In stock Tianjin Inquiry
Batchno.20260327 25g Out of stock Inquiry
Batchno.20260313 500g Out of stock Inquiry
Batchno.20250109 5g In stock Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-158040
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 51211-51-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

51211-51-9 / (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(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]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol;hydrate

Standard CAS: 51211-51-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51211-51-9
Multi CAS
Yes
Molecular Formula
C36H62O31
Molecular Weight
990.900000
Exact Mass
990.327505
InChI
InChI=1S/C36H60O30.H2O/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44;/h7-54H,1-6H2;1H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-;/m1./s1
InChIKey
UQIQLAUJPPOBJR-HAPKRNSXSA-N

Computed Properties

Structural Parameters

Heavy atom count
67
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
30
H-bond donors
18
Molar refractivity
199.41
TPSA
506.4

LogP / Solubility

WLOGP
-13.88
MLOGP
-12.12
XLogP3
-13.88
Consensus LogP
-13.29
Log S (ESOL)
3.16
Class (ESOL)
Highly soluble
Log S (Ali)
2.34
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.7
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)
-18.62

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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