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CAS 110371-27-2 bicyclo[3.2.1]octane-1,5-dicarboxylic acid MonoMethyl ester molecular structure lightbox
CAS RN: 110371-27-2

bicyclo[3.2.1]octane-1,5-dicarboxylic acid MonoMethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250825 100mg / 250mg Out of stock 1 business days Inquiry
  • Product code: SSC-011456
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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, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 110371-27-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry
10g >95% 0 Out of Stock Shanghai Inquiry

110371-27-2 / 5-methoxycarbonylbicyclo[3.2.1]octane-1-carboxylic acid

5-(Methoxycarbonyl)bicyclo[3.2.1]octane-1-carboxylic acid | DTXSID10548706 | 5-(Methoxycarbonyl)bicyclo(3.2.1)octane-1-carboxylic acid

Standard CAS: 110371-27-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
110371-27-2
Multi CAS
Yes
Molecular Formula
C11H16O4
Molecular Weight
212.240000
Exact Mass
212.104859
SMILES
COC(=O)C12CCCC(C1)(CC2)C(=O)O
InChI
InChI=1S/C11H16O4/c1-15-9(14)11-4-2-3-10(7-11,5-6-11)8(12)13/h2-7H2,1H3,(H,12,13)
InChIKey
WDMXFGRBVZYIIN-UHFFFAOYSA-N
Synonyms
5-(Methoxycarbonyl)bicyclo[3.2.1]octane-1-carboxylic acid DTXSID10548706 5-(Methoxycarbonyl)bicyclo(3.2.1)octane-1-carboxylic acid RefChem:300537 DTXCID00499490

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.22
TPSA
63.6

LogP / Solubility

WLOGP
1.58
MLOGP
1.4
XLogP3
1.1
Consensus LogP
1.36
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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