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CAS 1346605-01-3 Penbutolol-D9 hydrochloride molecular structure lightbox
CAS RN: 1346605-01-3

Penbutolol-D9 hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260104 1mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-042555
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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: 0.01g
  • 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 1346605-01-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.01g ≥95% 0 Out of Stock Hong Kong Inquiry

1346605-01-3 / 1-(2-cyclopentylphenoxy)-3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-2-ol;hydrochloride

Standard CAS: 1346605-01-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1346605-01-3
Multi CAS
No
Molecular Formula
C18H30ClNO2
Molecular Weight
336.900000
Exact Mass
336.252998
SMILES
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(COC1=CC=CC=C1C2CCCC2)O.Cl
InChI
InChI=1S/C18H29NO2.ClH/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14;/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3;1H/i1D3,2D3,3D3;
InChIKey
ITZWQFLTSRCDPC-KYRNGWDOSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
94.16
TPSA
41.49

LogP / Solubility

WLOGP
3.89
MLOGP
3.44
XLogP3
3.89
Consensus LogP
3.74
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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