[email protected]
CAS 153-18-4 Rutin hydrate, Analytical reference molecular structure lightbox
CAS RN: 153-18-4

Rutin hydrate, Analytical reference

Product Availability

Choose a grade to view its available package options.

10 package records10 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250915 100g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250216 25g In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batchno.20260404 500g In stock Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260518 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251211 100g In stock Shanghai, Shenzhen Inquiry
Batchno.20251012 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250213 1kg In stock Shanghai Inquiry
Batchno.20250106 25g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250831 500g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260531 20mg In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-062615
GET A QUOTE
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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 153-18-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

153-18-4 / 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

Standard CAS: 153-18-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
153-18-4
Multi CAS
No
Molecular Formula
C27H30O16
Molecular Weight
610.500000
Exact Mass
610.153385
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
InChI
InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
InChIKey
IKGXIBQEEMLURG-NVPNHPEKSA-N

Physical Properties

Melting Point
125 °C
Physical Description
Solid Yellowish powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
16
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
16
H-bond donors
10
Molar refractivity
140.2
TPSA
269.43

LogP / Solubility

WLOGP
-1.69
MLOGP
-1.44
XLogP3
-1.3
Consensus LogP
-1.48
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-7.64

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (38.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (38.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (38.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us