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CAS 23111-00-4 Nicotinamide riboside chloride molecular structure lightbox
CAS RN: 23111-00-4

Nicotinamide riboside chloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260610 1ml In stock Inquiry
  • Product code: SSC-112591
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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: 100g
  • Available purity: ＞97%
  • 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 23111-00-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

23111-00-4 / 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxamide chloride

Standard CAS: 23111-00-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23111-00-4
Multi CAS
No
Molecular Formula
C11H15ClN2O5
Molecular Weight
290.700000
Exact Mass
290.066949
SMILES
C1=CC(=C[N+](=C1)C2C(C(C(O2)CO)O)O)C(=O)N.[Cl-]
InChI
InChI=1S/C11H14N2O5.ClH/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11;/h1-4,7-9,11,14-16H,5H2,(H-,12,17);1H/t7-,8-,9-,11-;/m1./s1
InChIKey
YABIFCKURFRPPO-IVOJBTPCSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
4
Molar refractivity
58.16
TPSA
116.89

LogP / Solubility

WLOGP
-5.31
MLOGP
-4.66
XLogP3
-5.31
Consensus LogP
-5.09
Log S (ESOL)
1.67
Class (ESOL)
Highly soluble
Log S (Ali)
1.89
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.5
Class (SILICOS-IT)
Highly 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)
-8.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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