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CAS 13007-32-4 LACTO-N-NEOTETRAOSE molecular structure lightbox
CAS RN: 13007-32-4

LACTO-N-NEOTETRAOSE

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260513 1mg In stock Shanghai, Shandong Inquiry
Batchno.20260427 5mg In stock Shanghai Inquiry
  • Product code: SSC-036785
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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: 0.05g, 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 13007-32-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 0 Out of Stock Beijing Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry

13007-32-4 / N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Standard CAS: 13007-32-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13007-32-4
Multi CAS
No
Molecular Formula
C26H45NO21
Molecular Weight
707.600000
Exact Mass
707.248407
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C26H45NO21/c1-7(33)27-13-17(39)22(47-25-19(41)18(40)15(37)10(4-30)43-25)12(6-32)45-24(13)48-23-16(38)11(5-31)44-26(20(23)42)46-21(9(35)3-29)14(36)8(34)2-28/h2,8-26,29-32,34-42H,3-6H2,1H3,(H,27,33)/t8-,9+,10+,11+,12+,13+,14+,15-,16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-/m0/s1
InChIKey
RBMYDHMFFAVMMM-PLQWBNBWSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Fraction Csp3
0.92
Rotatable bonds
15
H-bond acceptors
21
H-bond donors
14
Molar refractivity
146.68
TPSA
364.54

LogP / Solubility

WLOGP
-9.76
MLOGP
-8.53
XLogP3
-8.8
Consensus LogP
-9.03
Log S (ESOL)
2.91
Class (ESOL)
Highly soluble
Log S (Ali)
1.69
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.04
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-13.97

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
10

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

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