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CAS 127049-52-9 S-6-broMo-α-(1,1-diMethylethyl)-2-PyridineMethanol molecular structure lightbox
CAS RN: 127049-52-9

S-6-broMo-α-(1,1-diMethylethyl)-2-PyridineMethanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260528 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-034550
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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 127049-52-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

127049-52-9 / (1S)-1-(6-bromo-2-pyridinyl)-2,2-dimethylpropan-1-ol

Standard CAS: 127049-52-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
127049-52-9
Multi CAS
No
Molecular Formula
C10H14BrNO
Molecular Weight
244.130000
Exact Mass
243.025880
SMILES
CC(C)(C)[C@@H](C1=NC(=CC=C1)Br)O
InChI
InChI=1S/C10H14BrNO/c1-10(2,3)9(13)7-5-4-6-8(11)12-7/h4-6,9,13H,1-3H3/t9-/m1/s1
InChIKey
ALSWDTYTRLYBQA-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.35
TPSA
33.12

LogP / Solubility

WLOGP
2.92
MLOGP
2.58
XLogP3
2.8
Consensus LogP
2.77
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
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)
-2.13

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
2

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