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CAS 1272755-25-5 4-Methoxyphenyl 2-Azido-3,6-di-O-benzyl-2-deoxy-β-D-glucopyranoside molecular structure lightbox
CAS RN: 1272755-25-5

4-Methoxyphenyl 2-Azido-3,6-di-O-benzyl-2-deoxy-β-D-glucopyranoside

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250309 250mg In stock Shanghai Inquiry
  • Product code: SSC-034759
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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: ＞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 1272755-25-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

1272755-25-5 / (2R,3S,4R,5R,6S)-5-azido-6-(4-methoxyphenoxy)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol

Standard CAS: 1272755-25-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1272755-25-5
Multi CAS
No
Molecular Formula
C27H29N3O6
Molecular Weight
491.500000
Exact Mass
491.205636
SMILES
COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)O)OCC4=CC=CC=C4)N=[N+]=[N-]
InChI
InChI=1S/C27H29N3O6/c1-32-21-12-14-22(15-13-21)35-27-24(29-30-28)26(34-17-20-10-6-3-7-11-20)25(31)23(36-27)18-33-16-19-8-4-2-5-9-19/h2-15,23-27,31H,16-18H2,1H3/t23-,24-,25-,26-,27-/m1/s1
InChIKey
ZTAXYCGZXSYIMV-RFNQJFSXSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
1
Molar refractivity
132.34
TPSA
115.14

LogP / Solubility

WLOGP
4.64
MLOGP
4.12
XLogP3
4.8
Consensus LogP
4.52
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.03
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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