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CAS 1200-67-5 ISOBORNYL FORMATE molecular structure lightbox
CAS RN: 1200-67-5

ISOBORNYL FORMATE

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250413 100mg In stock Shanghai Inquiry
Batchno.20250707 1g In stock Shanghai Inquiry
Batchno.20250919 250mg In stock Shanghai Inquiry
Batchno.20260226 50mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1200-67-5
  • Purity/Analytical Methods: >99.0%
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1200-67-5 / [(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] formate

SCHEMBL3503753 | NS00012669

Standard CAS: 1200-67-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1200-67-5
Multi CAS
Yes
Molecular Formula
C11H18O2
Molecular Weight
182.260000
Exact Mass
182.130680
SMILES
C[C@@]12CC[C@@H](C1(C)C)C[C@H]2OC=O
InChI
InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3/t8-,9-,11+/m1/s1
InChIKey
RDWUNORUTVEHJF-KKZNHRDASA-N
Synonyms
SCHEMBL3503753 NS00012669

Physical Properties

Density
1.007-1.013 (20°) 1.011-1.017
Physical Description
Colourless liquid; Green, earthy refreshing aroma Colourless liquid; Green, earthy, herbaceouos-camphoraceous, piney aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
50.17
TPSA
26.3

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
3.3
Consensus LogP
2.59
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-2.15

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 91 of 92 companies (only 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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