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CAS 894096-02-7 β-D-Glucopyranosiduronic acid, 2-[[3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1-oxopropyl]amino]-4-(hydroxymethyl)phenyl, methyl ester, 2,3,4-triacetate molecular structure lightbox
CAS RN: 894096-02-7

β-D-Glucopyranosiduronic acid, 2-[[3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1-oxopropyl]amino]-4-(hydroxymethyl)phenyl, methyl ester, 2,3,4-triacetate

Product Availability

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11 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250925 100mg In stock Shanghai Inquiry
Batchno.20250611 10g In stock Shanghai Inquiry
Batchno.20260203 10mg In stock Shanghai Inquiry
Batchno.20250618 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251124 1mg In stock Shanghai Inquiry
Batchno.20250102 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250226 25mg In stock Shanghai Inquiry
Batchno.20251204 50mg In stock Shanghai Inquiry
Batchno.20260219 5g In stock Shanghai, Tianjin Inquiry
Batchno.20260627 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250825 5mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-201387
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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
  • Available purity: ＞97%
  • 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 894096-02-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

894096-02-7 / methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-4-(hydroxymethyl)phenoxy]oxane-2-carboxylate

Standard CAS: 894096-02-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
894096-02-7
Multi CAS
Yes
Molecular Formula
C38H40N2O14
Molecular Weight
748.700000
Exact Mass
748.247954
InChI
InChI=1S/C38H40N2O14/c1-20(42)50-32-33(51-21(2)43)35(52-22(3)44)37(54-34(32)36(46)48-4)53-30-14-13-23(18-41)17-29(30)40-31(45)15-16-39-38(47)49-19-28-26-11-7-5-9-24(26)25-10-6-8-12-27(25)28/h5-14,17,28,32-35,37,41H,15-16,18-19H2,1-4H3,(H,39,47)(H,40,45)/t32-,33-,34-,35+,37+/m0/s1
InChIKey
COFWDBMZXNIYIR-DVEMFWCFSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
18
Fraction Csp3
0.37
Rotatable bonds
13
H-bond acceptors
14
H-bond donors
3
Molar refractivity
186.65
TPSA
211.32

LogP / Solubility

WLOGP
3.12
MLOGP
2.81
XLogP3
2.6
Consensus LogP
2.84
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.67
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.07

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
7.5

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