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CAS 66831-17-2 H-HYP(BZL)-OME HCL molecular structure lightbox
CAS RN: 66831-17-2

H-HYP(BZL)-OME HCL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260415 250mg Out of stock 1 business days Inquiry
  • Product code: SSC-176478
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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: 5g
  • 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 66831-17-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

66831-17-2 / methyl (2S,4R)-4-phenylmethoxypyrrolidin-1-ium-2-carboxylate chloride

Standard CAS: 66831-17-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66831-17-2
Multi CAS
Yes
Molecular Formula
C13H18CLNO3
Molecular Weight
271.740000
Exact Mass
271.097521
InChI
InChI=1S/C13H17NO3.ClH/c1-16-13(15)12-7-11(8-14-12)17-9-10-5-3-2-4-6-10;/h2-6,11-12,14H,7-9H2,1H3;1H/t11-,12+;/m1./s1
InChIKey
DTGIEBXEDOSJQH-LYCTWNKOSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.23
TPSA
52.14

LogP / Solubility

WLOGP
-2.92
MLOGP
-2.56
XLogP3
-2.92
Consensus LogP
-2.8
Log S (ESOL)
0.33
Class (ESOL)
Highly soluble
Log S (Ali)
0.32
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.51
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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