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CAS 894095-98-8 (2S,3S,4S,5R,6S)-methyl-6-(2-(3-(((9H-fluoren-9yl)methoxy)carbonyl-amino)propanamido)-4-(((4-nitrophenoxy)carbonyloxy)methyl)phenoxy)-3,4,5-triacetoxy-tetrahydro-2H-pyran-2-carboxylate molecular structure lightbox
CAS RN: 894095-98-8

(2S,3S,4S,5R,6S)-methyl-6-(2-(3-(((9H-fluoren-9yl)methoxy)carbonyl-amino)propanamido)-4-(((4-nitrophenoxy)carbonyloxy)methyl)phenoxy)-3,4,5-triacetoxy-tetrahydro-2H-pyran-2-carboxylate

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260319 100mg In stock Shanghai Inquiry
Batchno.20250301 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250518 250mg In stock Shanghai Inquiry
Batchno.20250812 25mg / 100mg Out of stock 8-10 business days Inquiry
Batchno.20250429 50mg In stock Shanghai Inquiry
Batchno.20250506 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-201386
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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: 0.1g, 0.25g, 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 894095-98-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

894095-98-8 / methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-4-[(4-nitrophenoxy)carbonyloxymethyl]phenoxy]oxane-2-carboxylate

Standard CAS: 894095-98-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
894095-98-8
Multi CAS
Yes
Molecular Formula
C45H43N3O18
Molecular Weight
913.800000
Exact Mass
913.254162
InChI
InChI=1S/C45H43N3O18/c1-24(49)61-38-39(62-25(2)50)41(63-26(3)51)43(66-40(38)42(53)58-4)65-36-18-13-27(22-60-45(55)64-29-16-14-28(15-17-29)48(56)57)21-35(36)47-37(52)19-20-46-44(54)59-23-34-32-11-7-5-9-30(32)31-10-6-8-12-33(31)34/h5-18,21,34,38-41,43H,19-20,22-23H2,1-4H3,(H,46,54)(H,47,52)/t38-,39-,40-,41+,43+/m0/s1
InChIKey
DMGQNZOORDYDEZ-LELKPENRSA-N

Computed Properties

Structural Parameters

Heavy atom count
66
Aromatic heavy atom count
24
Fraction Csp3
0.31
Rotatable bonds
16
H-bond acceptors
18
H-bond donors
2
Molar refractivity
224.64
TPSA
269.76

LogP / Solubility

WLOGP
5.25
MLOGP
4.71
XLogP3
4.9
Consensus LogP
4.95
Log S (ESOL)
-8.03
Class (ESOL)
Insoluble
Log S (Ali)
-10.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.88
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.57

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
8

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