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CAS 10138-32-6 ETHYL 5-NORBORNENE-2-CARBOXYLATE (MIXTURE OF ENDO AND EXO) molecular structure lightbox
CAS RN: 10138-32-6

ETHYL 5-NORBORNENE-2-CARBOXYLATE (MIXTURE OF ENDO AND EXO)

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250114 100g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251016 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260123 500g In stock Shenzhen, Tianjin Inquiry
Batchno.20250814 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS10138-32-6
  • Purity/Analytical Methods: >99.0%
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10138-32-6 / ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

ETHYL BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLATE | Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ethyl ester | Ethyl 5-norbornene-2-carboxylate

Standard CAS: 10138-32-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
10138-32-6
Multi CAS
Yes
Molecular Formula
C10H14O2
Molecular Weight
166.220000
Exact Mass
166.099380
SMILES
CCOC(=O)C1CC2CC1C=C2
InChI
InChI=1S/C10H14O2/c1-2-12-10(11)9-6-7-3-4-8(9)5-7/h3-4,7-9H,2,5-6H2,1H3
InChIKey
FCCGTJAGEHZPBF-UHFFFAOYSA-N
Synonyms
ETHYL BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLATE Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ethyl ester Ethyl 5-norbornene-2-carboxylate NSC 26489 QEA96R4A1Z

Physical Properties

Density
1.007-1.047 (20 °)
Physical Description
Clear liquid/Floral aroma with earthy fermented undertones
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.7
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
45.48
TPSA
26.3

LogP / Solubility

WLOGP
1.76
MLOGP
1.55
XLogP3
1.9
Consensus LogP
1.74
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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