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CAS 1808249-67-3 6-aMino-Spiro[3.3]heptane-2-carboxylic acid Methyl ester hydrochloride molecular structure lightbox
CAS RN: 1808249-67-3

6-aMino-Spiro[3.3]heptane-2-carboxylic acid Methyl ester hydrochloride

Product Availability

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8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250205 100mg In stock Inquiry
Batchno.20251118 1g In stock Inquiry
Batchno.20250715 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251122 100mg In stock Shanghai Inquiry
Batchno.20260108 10g In stock Shanghai Inquiry
Batchno.20250712 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260206 250mg In stock Shanghai Inquiry
Batchno.20250518 5g In stock Shanghai Inquiry
  • Product code: SSC-082141
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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, 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 1808249-67-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1808249-67-3 / methyl 2-aminospiro[3.3]heptane-6-carboxylate;hydrochloride

Standard CAS: 1808249-67-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1808249-67-3
Multi CAS
No
Molecular Formula
C9H16ClNO2
Molecular Weight
205.680000
Exact Mass
205.086956
SMILES
COC(=O)C1CC2(C1)CC(C2)N.Cl
InChI
InChI=1S/C9H15NO2.ClH/c1-12-8(11)6-2-9(3-6)4-7(10)5-9;/h6-7H,2-5,10H2,1H3;1H
InChIKey
YPGLGGXSCLUQOR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.63
TPSA
52.32

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
1.1
Consensus LogP
1.06
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
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)
-3.19

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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