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CAS 2007908-42-9 methyl 6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride molecular structure lightbox
CAS RN: 2007908-42-9

methyl 6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250729 1g Out of stock Inquiry
Batchno.20251212 5g Out of stock Inquiry
  • Product code: SSC-094652
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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: 0.25g
  • 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 2007908-42-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry

2007908-42-9 / methyl 6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate;hydrochloride

Standard CAS: 2007908-42-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2007908-42-9
Multi CAS
No
Molecular Formula
C11H13ClFNO2
Molecular Weight
245.680000
Exact Mass
245.061885
SMILES
COC(=O)C1C2=C(CCN1)C=C(C=C2)F.Cl
InChI
InChI=1S/C11H12FNO2.ClH/c1-15-11(14)10-9-3-2-8(12)6-7(9)4-5-13-10;/h2-3,6,10,13H,4-5H2,1H3;1H
InChIKey
CUONHCFNFRTXAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.11
TPSA
38.33

LogP / Solubility

WLOGP
1.61
MLOGP
1.42
XLogP3
1.61
Consensus LogP
1.55
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately 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)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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