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CAS 14259-47-3 DIDYMIN molecular structure lightbox
CAS RN: 14259-47-3

DIDYMIN

Product Availability

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7 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260618 100mg In stock Shanghai Inquiry
Batchno.20260529 1g In stock Shanghai Inquiry
Batchno.20250521 250mg In stock Shanghai Inquiry
Batchno.20260212 50mg In stock Shanghai Inquiry
Batchno.20250714 5mg / 25mg / 100mg / 250mg Confirm by inquiry Shandong, Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251029 10mg In stock Shanghai, Shandong Inquiry
  • Product code: SSC-053358
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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: 0.25g
  • 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 14259-47-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 0 Out of Stock Shenzhen Inquiry

14259-47-3 / (2S)-5-hydroxy-2-(4-methoxyphenyl)-7-[(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]oxy-2,3-dihydrochromen-4-one

Standard CAS: 14259-47-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14259-47-3
Multi CAS
No
Molecular Formula
C28H34O14
Molecular Weight
594.600000
Exact Mass
594.194856
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=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O
InChI
InChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
InChIKey
RMCRQBAILCLJGU-HIBKWJPLSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
7
H-bond acceptors
14
H-bond donors
7
Molar refractivity
139.03
TPSA
214.06

LogP / Solubility

WLOGP
-0.86
MLOGP
-0.71
XLogP3
-0.7
Consensus LogP
-0.76
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly 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)
-6.96

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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