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CAS 1138480-98-4 Methyl 6-oxospiro[3.3]heptane-2-carboxylate molecular structure lightbox
CAS RN: 1138480-98-4

Methyl 6-oxospiro[3.3]heptane-2-carboxylate

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260227 100mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260227 10g In stock Shanghai Inquiry
Batchno.20260129 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260411 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260325 25g In stock Shanghai Inquiry
Batchno.20250529 5g In stock Shanghai, Tianjin, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260124 100mg / 250mg / 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-013841
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 1g, 5g, 10g, 25g, 100g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 7
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1138480-98-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
10g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
100g >97% 5 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry

1138480-98-4 / methyl 2-oxospiro[3.3]heptane-6-carboxylate

METHYL 6-OXOSPIRO[3.3]HEPTANE-2-CARBOXYLATE | DTXSID00725524 | Methyl 6-oxospiro(3.3)heptane-2-carboxylate

Standard CAS: 1138480-98-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1138480-98-4
Multi CAS
No
Molecular Formula
C9H12O3
Molecular Weight
168.190000
Exact Mass
168.078644
SMILES
COC(=O)C1CC2(C1)CC(=O)C2
InChI
InChI=1S/C9H12O3/c1-12-8(11)6-2-9(3-6)4-7(10)5-9/h6H,2-5H2,1H3
InChIKey
KPVYGLFZWUGNOJ-UHFFFAOYSA-N
Synonyms
METHYL 6-OXOSPIRO[3.3]HEPTANE-2-CARBOXYLATE DTXSID00725524 Methyl 6-oxospiro(3.3)heptane-2-carboxylate RefChem:356369 DTXCID00676269

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.78
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
41.41
TPSA
43.37

LogP / Solubility

WLOGP
0.92
MLOGP
0.8
XLogP3
0.1
Consensus LogP
0.61
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
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)
-3.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
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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