[email protected]
CAS 10481-25-1 spiro[3.3]heptane-2,6-dicarboxylic acid monomethyl ester molecular structure lightbox
CAS RN: 10481-25-1

spiro[3.3]heptane-2,6-dicarboxylic acid monomethyl ester

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251028 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250205 1g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260216 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250309 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS10481-25-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

10481-25-1 / 2-methoxycarbonylspiro[3.3]heptane-6-carboxylic acid

6-(Methoxycarbonyl)spiro[3.3]heptane-2-carboxylic acid | DTXSID00439952 | 6-(Methoxycarbonyl)spiro(3.3)heptane-2-carboxylic acid

Standard CAS: 10481-25-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10481-25-1
Multi CAS
No
Molecular Formula
C10H14O4
Molecular Weight
198.220000
Exact Mass
198.089209
SMILES
COC(=O)C1CC2(C1)CC(C2)C(=O)O
InChI
InChI=1S/C10H14O4/c1-14-9(13)7-4-10(5-7)2-6(3-10)8(11)12/h6-7H,2-5H2,1H3,(H,11,12)
InChIKey
NNVZYAFUSDVQII-UHFFFAOYSA-N
Synonyms
6-(Methoxycarbonyl)spiro[3.3]heptane-2-carboxylic acid DTXSID00439952 6-(Methoxycarbonyl)spiro(3.3)heptane-2-carboxylic acid RefChem:306859 DTXCID80390774

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
47.53
TPSA
63.6

LogP / Solubility

WLOGP
1.05
MLOGP
0.92
XLogP3
0.7
Consensus LogP
0.89
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-3.18

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
H303 (50%): May be 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, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us