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CAS 683220-37-3 N-FMOC-2-PIPERIDINEACETIC ACID molecular structure lightbox
CAS RN: 683220-37-3

N-FMOC-2-PIPERIDINEACETIC ACID

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260604 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS683220-37-3
  • Purity/Analytical Methods: >99.0%
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683220-37-3 / 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetic acid

Standard CAS: 683220-37-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
683220-37-3
Multi CAS
No
Molecular Formula
C22H23NO4
Molecular Weight
365.400000
Exact Mass
365.162708
InChI
InChI=1S/C22H23NO4/c24-21(25)13-15-7-5-6-12-23(15)22(26)27-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,15,20H,5-7,12-14H2,(H,24,25)
InChIKey
YVHXTQQJFAOBCJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
101.67
TPSA
66.84

LogP / Solubility

WLOGP
4.26
MLOGP
3.77
XLogP3
3.7
Consensus LogP
3.91
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.05
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.92

Drug-likeness / Medicinal Chemistry

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

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