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CAS 1799327-42-6 1H-Pyrrolo[3,2-b]pyridine-5-methanol, 6-[(4-fluorophenyl)methyl]-2,3-dihydro-3,3-dimethyl- molecular structure lightbox
CAS RN: 1799327-42-6

1H-Pyrrolo[3,2-b]pyridine-5-methanol, 6-[(4-fluorophenyl)methyl]-2,3-dihydro-3,3-dimethyl-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260302 100mg Out of stock 1 business days Inquiry
  • Product code: SSC-080255
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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 1799327-42-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1799327-42-6 / [6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-5-yl]methanol

Standard CAS: 1799327-42-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1799327-42-6
Multi CAS
No
Molecular Formula
C17H19FN2O
Molecular Weight
286.340000
Exact Mass
286.148141
SMILES
CC1(CNC2=C1N=C(C(=C2)CC3=CC=C(C=C3)F)CO)C
InChI
InChI=1S/C17H19FN2O/c1-17(2)10-19-14-8-12(15(9-21)20-16(14)17)7-11-3-5-13(18)6-4-11/h3-6,8,19,21H,7,9-10H2,1-2H3
InChIKey
ZYXWNGVEUOLFPW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
80.88
TPSA
45.15

LogP / Solubility

WLOGP
3.01
MLOGP
2.66
XLogP3
3
Consensus LogP
2.89
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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