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CAS 127049-50-7 R,R-α,α’-bis(1,1-diMethylethyl)-[2,2′-Bipyridine]-6,6′-diMethanol molecular structure lightbox
CAS RN: 127049-50-7

R,R-α,α’-bis(1,1-diMethylethyl)-[2,2′-Bipyridine]-6,6′-diMethanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250113 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-034549
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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: ＞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 127049-50-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Beijing Inquiry

127049-50-7 / (1R)-1-[6-[6-[(1R)-1-hydroxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol

Standard CAS: 127049-50-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
127049-50-7
Multi CAS
No
Molecular Formula
C20H28N2O2
Molecular Weight
328.400000
Exact Mass
328.215078
SMILES
CC(C)(C)[C@H](C1=CC=CC(=N1)C2=NC(=CC=C2)[C@@H](C(C)(C)C)O)O
InChI
InChI=1S/C20H28N2O2/c1-19(2,3)17(23)15-11-7-9-13(21-15)14-10-8-12-16(22-14)18(24)20(4,5)6/h7-12,17-18,23-24H,1-6H3/t17-,18-/m0/s1
InChIKey
CAOIUNFSPMSYIQ-ROUUACIJSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
96.3
TPSA
66.24

LogP / Solubility

WLOGP
4.3
MLOGP
3.8
XLogP3
3.3
Consensus LogP
3.8
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67

Drug-likeness / Medicinal Chemistry

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

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