[email protected]
CAS 87269-87-2 Benzyl (S,S,S)-2-Azabicyclo[3.3.0]octane-3-carboxylate Hydrochloride molecular structure lightbox
CAS RN: 87269-87-2

Benzyl (S,S,S)-2-Azabicyclo[3.3.0]octane-3-carboxylate Hydrochloride

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250130 100g In stock Inquiry
Batchno.20251220 1g In stock Inquiry
Batchno.20250926 25g In stock Inquiry
Batchno.20260311 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260527 1g In stock Shandong Inquiry
Batchno.20250118 25g In stock Shanghai, Shandong Inquiry
Batchno.20250801 5g In stock Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-197044
GET A QUOTE
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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 87269-87-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

87269-87-2 / benzyl (2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate;hydrochloride

Standard CAS: 87269-87-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
87269-87-2
Multi CAS
Yes
Molecular Formula
C15H20CLNO2
Molecular Weight
281.780000
Exact Mass
281.118257
InChI
InChI=1S/C15H19NO2.ClH/c17-15(18-10-11-5-2-1-3-6-11)14-9-12-7-4-8-13(12)16-14;/h1-3,5-6,12-14,16H,4,7-10H2;1H/t12-,13-,14-;/m0./s1
InChIKey
HLXCXOQXUDRJLF-JKBZPBJLSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.16
TPSA
38.33

LogP / Solubility

WLOGP
2.68
MLOGP
2.37
XLogP3
2.68
Consensus LogP
2.58
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us