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CAS 67670-69-3 N-ACETYL-2-CHLORO-2-DEOXYNEURAMINIC ACID METHYL ESTER 4,7,8,9-TETRAACETATE molecular structure lightbox
CAS RN: 67670-69-3

N-ACETYL-2-CHLORO-2-DEOXYNEURAMINIC ACID METHYL ESTER 4,7,8,9-TETRAACETATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250623 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-177436
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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
  • 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 67670-69-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry

67670-69-3 / methyl (2R,4S,5R,6R)-5-acetamido-4-acetyloxy-2-chloro-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Standard CAS: 67670-69-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67670-69-3
Multi CAS
Yes
Molecular Formula
C20H28CLNO12
Molecular Weight
509.900000
Exact Mass
509.130003
InChI
InChI=1S/C20H28ClNO12/c1-9(23)22-16-14(31-11(3)25)7-20(21,19(28)29-6)34-18(16)17(33-13(5)27)15(32-12(4)26)8-30-10(2)24/h14-18H,7-8H2,1-6H3,(H,22,23)/t14-,15+,16+,17+,18+,20-/m0/s1
InChIKey
QGJGGAMXXWIKJR-DCDDNHAVSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.7
Rotatable bonds
9
H-bond acceptors
12
H-bond donors
1
Molar refractivity
110.99
TPSA
169.83

LogP / Solubility

WLOGP
-0.25
MLOGP
-0.19
XLogP3
1
Consensus LogP
0.19
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.01

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
5.5

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