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CAS 165739-83-3 4-chloro-loratadine molecular structure lightbox
CAS RN: 165739-83-3

4-chloro-loratadine

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250628 100mg In stock Shanghai Inquiry
Batchno.20260423 1g In stock Shanghai Inquiry
Batchno.20260225 250mg In stock Shanghai Inquiry
Batchno.20251008 25mg In stock Shanghai Inquiry
Batchno.20251202 25mg / 50mg Out of stock 5-7 business days Inquiry
Batchno.20250718 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS165739-83-3
  • Purity/Analytical Methods: >99.0%
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165739-83-3 / ethyl 4-(7,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene)piperidine-1-carboxylate

Standard CAS: 165739-83-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
165739-83-3
Multi CAS
No
Molecular Formula
C22H22Cl2N2O2
Molecular Weight
417.300000
Exact Mass
416.105833
SMILES
CCOC(=O)N1CCC(=C2C3=C(CCC4=C(C=CN=C42)Cl)C=C(C=C3)Cl)CC1
InChI
InChI=1S/C22H22Cl2N2O2/c1-2-28-22(27)26-11-8-14(9-12-26)20-17-6-4-16(23)13-15(17)3-5-18-19(24)7-10-25-21(18)20/h4,6-7,10,13H,2-3,5,8-9,11-12H2,1H3
InChIKey
LOTMYBFPXGPIDD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
111.96
TPSA
42.43

LogP / Solubility

WLOGP
5.54
MLOGP
4.9
XLogP3
5.8
Consensus LogP
5.41
Log S (ESOL)
-6.17
Class (ESOL)
Insoluble
Log S (Ali)
-6.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.09
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)
-1.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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