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CAS 1314212-39-9 N-(4-(aminomethyl)-2,6-dimethylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide(CYM50358) molecular structure lightbox
CAS RN: 1314212-39-9

N-(4-(aminomethyl)-2,6-dimethylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide(CYM50358)

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260215 100mg In stock Shanghai Inquiry
Batchno.20260419 10mg In stock Shanghai Inquiry
Batchno.20260109 25mg In stock Shanghai, Tianjin Inquiry
Batchno.20250216 25mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20250114 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1314212-39-9
  • Purity/Analytical Methods: >99.0%
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1314212-39-9 / N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide

Standard CAS: 1314212-39-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1314212-39-9
Multi CAS
No
Molecular Formula
C20H18Cl2N2O2
Molecular Weight
389.300000
Exact Mass
388.074533
SMILES
CC1=CC(=CC(=C1NC(=O)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl)C)CN
InChI
InChI=1S/C20H18Cl2N2O2/c1-11-7-13(10-23)8-12(2)19(11)24-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22/h3-9H,10,23H2,1-2H3,(H,24,25)
InChIKey
QWJOPXDAQCDRRM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
17
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
105.92
TPSA
68.26

LogP / Solubility

WLOGP
5.58
MLOGP
4.93
XLogP3
4.7
Consensus LogP
5.07
Log S (ESOL)
-5.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.3
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)
-1.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501

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