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CAS 103674-69-7 Bromo-2,3,4-tri-O-benzoyl-α-D-glucuronic Acid Methyl Ester molecular structure lightbox
CAS RN: 103674-69-7

Bromo-2,3,4-tri-O-benzoyl-α-D-glucuronic Acid Methyl Ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250921 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-005250
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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 103674-69-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

103674-69-7 / methyl (2S,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-bromooxane-2-carboxylate

METHYL (2S,3S,4S,5R,6R)-3,4,5-TRIBENZOYLOXY-6-BROMO-TETRAHYDROPYRAN-2-CARBOXYLATE | (2R,3R,4S,5S,6S)-2-Bromo-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl Tribenzoate | Bromo-2,3,4-tri-O-benzoyl-a-D-glucuronic Acid Methyl

Standard CAS: 103674-69-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103674-69-7
Multi CAS
Yes
Molecular Formula
C28H23BrO9
Molecular Weight
583.400000
Exact Mass
582.052540
SMILES
COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)Br)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C28H23BrO9/c1-34-28(33)23-21(37-26(31)18-13-7-3-8-14-18)20(36-25(30)17-11-5-2-6-12-17)22(24(29)35-23)38-27(32)19-15-9-4-10-16-19/h2-16,20-24H,1H3/t20-,21-,22+,23-,24-/m0/s1
InChIKey
KXTNIKNREDJJSO-LKTXNROYSA-N
Synonyms
METHYL (2S,3S,4S,5R,6R)-3,4,5-TRIBENZOYLOXY-6-BROMO-TETRAHYDROPYRAN-2-CARBOXYLATE (2R,3R,4S,5S,6S)-2-Bromo-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl Tribenzoate Bromo-2,3,4-tri-O-benzoyl-a-D-glucuronic Acid Methyl Bromo-2,3,4-tri-O-benzoyl-alpha-D-glucuronic Acid Methyl Ester orb2941604

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
9
Molar refractivity
136.54
TPSA
114.43

LogP / Solubility

WLOGP
3.96
MLOGP
3.53
XLogP3
5.6
Consensus LogP
4.36
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.58
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.47

Drug-likeness / Medicinal Chemistry

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

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