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CAS 1003043-49-9 6-(3-N,N-DiMethylaMino-propoxy)pyridine-3-boronic acid molecular structure lightbox
CAS RN: 1003043-49-9

6-(3-N,N-DiMethylaMino-propoxy)pyridine-3-boronic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250522 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-000799
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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 1003043-49-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1003043-49-9 / [6-[3-(dimethylamino)propoxy]-3-pyridinyl]boronic acid

(6-(3-(Dimethylamino)propoxy)pyridin-3-yl)boronic acid | [6-[3-(dimethylamino)propoxy]pyridin-3-yl]boronic acid | MFCD18262092

Standard CAS: 1003043-49-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1003043-49-9
Multi CAS
No
Molecular Formula
C10H17BN2O3
Molecular Weight
224.070000
Exact Mass
224.133223
SMILES
B(C1=CN=C(C=C1)OCCCN(C)C)(O)O
InChI
InChI=1S/C10H17BN2O3/c1-13(2)6-3-7-16-10-5-4-9(8-12-10)11(14)15/h4-5,8,14-15H,3,6-7H2,1-2H3
InChIKey
BVTVITPDEGCMGA-UHFFFAOYSA-N
Synonyms
(6-(3-(Dimethylamino)propoxy)pyridin-3-yl)boronic acid [6-[3-(dimethylamino)propoxy]pyridin-3-yl]boronic acid MFCD18262092 (6-(3-(Dimethylamino)propoxy)-pyridin-3-yl)boronic acid 6-(3-N,N-Dimethylamino-propoxy)pyridine-3-boronic acid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
62.73
TPSA
65.82

LogP / Solubility

WLOGP
-0.91
MLOGP
-0.8
XLogP3
-0.91
Consensus LogP
-0.87
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.08
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.73

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
1.5

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