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CAS 1847-63-8 Nafoxidine molecular structure lightbox
CAS RN: 1847-63-8

Nafoxidine

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6 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250603 100mg Out of stock Inquiry
Batchno.20260224 250mg Out of stock Inquiry
Batchno.20251024 25mg In stock Shanghai Inquiry
Batchno.20260317 50mg Out of stock Inquiry
Batchno.20250710 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20250223 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1847-63-8
  • Purity/Analytical Methods: >99.0%
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1847-63-8 / 1-[2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride

Standard CAS: 1847-63-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1847-63-8
Multi CAS
No
Molecular Formula
C29H32ClNO2
Molecular Weight
462.000000
Exact Mass
461.212157
SMILES
COC1=CC2=C(C=C1)C(=C(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5.Cl
InChI
InChI=1S/C29H31NO2.ClH/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30;/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3;1H
InChIKey
HJOOGTROABIIIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.31
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
138.53
TPSA
21.7

LogP / Solubility

WLOGP
6.5
MLOGP
5.75
XLogP3
6.5
Consensus LogP
6.25
Log S (ESOL)
-6.74
Class (ESOL)
Insoluble
Log S (Ali)
-8.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.9
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard Corrosive Acute Toxic
Signal
Warning Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H351 (100%): Suspected of causing cancer [Warning Carcinogenicity] H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P203, P264, P270, P280, P301+P317, P302+P352, P317, P318, P321, P330, P362+P364, P405, and P501 P203, P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P354+P338, P317, P318, P321, P330, P333+P317, P362+P364, P405, and P501

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