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CAS 752-13-6 Riboflavin, 2′,3′,4′,5′-tetraacetate molecular structure lightbox
CAS RN: 752-13-6

Riboflavin, 2′,3′,4′,5′-tetraacetate

  • Product code: SSC-184689
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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: 1g, 5g
  • Available purity: ≥95%
  • 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 752-13-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

752-13-6 / [(2R,3S,4S)-2,3,4-triacetyloxy-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)pentyl] acetate

Standard CAS: 752-13-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
752-13-6
Multi CAS
Yes
Molecular Formula
C25H28N4O10
Molecular Weight
544.500000
Exact Mass
544.180543
InChI
InChI=1S/C25H28N4O10/c1-11-7-17-18(8-12(11)2)29(23-21(26-17)24(34)28-25(35)27-23)9-19(37-14(4)31)22(39-16(6)33)20(38-15(5)32)10-36-13(3)30/h7-8,19-20,22H,9-10H2,1-6H3,(H,28,34,35)/t19-,20+,22-/m0/s1
InChIKey
VKVDYPHLGLIXAG-VWPQPMDRSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
14
Fraction Csp3
0.44
Rotatable bonds
9
H-bond acceptors
13
H-bond donors
1
Molar refractivity
133.81
TPSA
185.84

LogP / Solubility

WLOGP
0.56
MLOGP
0.53
XLogP3
0.8
Consensus LogP
0.63
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly 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)
-5.64

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
5.5

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