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CAS 110371-28-3 5-(methoxycarbonyl)bicyclo[3.1.1]heptane-1-carboxylic acid molecular structure lightbox
CAS RN: 110371-28-3

5-(methoxycarbonyl)bicyclo[3.1.1]heptane-1-carboxylic acid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250108 100mg In stock Shanghai Inquiry
Batchno.20260217 1g In stock Shanghai Inquiry
Batchno.20260109 250mg In stock Shanghai Inquiry
Batchno.20251116 5g In stock Shanghai Inquiry
  • Product code: SSC-011457
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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, 10g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 110371-28-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
10g >97% 2 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Beijing Inquiry

110371-28-3 / 5-methoxycarbonylbicyclo[3.1.1]heptane-1-carboxylic acid

5-(methoxycarbonyl)bicyclo[3.1.1]heptane-1-carboxylic acid | 5-(Methoxycarbonyl)bicyclo(3.1.1)heptane-1-carboxylic Acid | RefChem:531345

Standard CAS: 110371-28-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
110371-28-3
Multi CAS
Yes
Molecular Formula
C10H14O4
Molecular Weight
198.220000
Exact Mass
198.089209
SMILES
COC(=O)C12CCCC(C1)(C2)C(=O)O
InChI
InChI=1S/C10H14O4/c1-14-8(13)10-4-2-3-9(5-10,6-10)7(11)12/h2-6H2,1H3,(H,11,12)
InChIKey
XBHAKHGDPDKVAY-UHFFFAOYSA-N
Synonyms
5-(methoxycarbonyl)bicyclo[3.1.1]heptane-1-carboxylic acid 5-(Methoxycarbonyl)bicyclo(3.1.1)heptane-1-carboxylic Acid RefChem:531345 889-193-8 MFCD00220676

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.6
TPSA
63.6

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
0.8
Consensus LogP
1.01
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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 (66.7%): 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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