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CAS 135380-26-6 (1-BENZYLPYRROLIDINE-3,3-DIYL)DIMETHANOL molecular structure lightbox
CAS RN: 135380-26-6

(1-BENZYLPYRROLIDINE-3,3-DIYL)DIMETHANOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260221 100mg / 250mg Out of stock 1 business days Inquiry
  • Product code: SSC-043612
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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 135380-26-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

135380-26-6 / [1-benzyl-3-(hydroxymethyl)pyrrolidin-3-yl]methanol

Standard CAS: 135380-26-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
135380-26-6
Multi CAS
No
Molecular Formula
C13H19NO2
Molecular Weight
221.290000
Exact Mass
221.141579
SMILES
C1CN(CC1(CO)CO)CC2=CC=CC=C2
InChI
InChI=1S/C13H19NO2/c15-10-13(11-16)6-7-14(9-13)8-12-4-2-1-3-5-12/h1-5,15-16H,6-11H2
InChIKey
LEGSICINTMCWGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.94
TPSA
43.7

LogP / Solubility

WLOGP
0.86
MLOGP
0.76
XLogP3
0.6
Consensus LogP
0.74
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.29
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)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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