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CAS 729610-18-8 Calindol Hydrochloride molecular structure lightbox
CAS RN: 729610-18-8

Calindol Hydrochloride

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6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250413 100mg In stock Shanghai Inquiry
Batchno.20250317 1g Out of stock Inquiry
Batchno.20250802 250mg In stock Shanghai Inquiry
Batchno.20251017 25mg In stock Shanghai Inquiry
Batchno.20250205 25mg / 50mg / 100mg Out of stock 8-10 business days Inquiry
Batchno.20250904 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS729610-18-8
  • Purity/Analytical Methods: >99.0%
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729610-18-8 / (1R)-N-(1H-indol-2-ylmethyl)-1-naphthalen-1-ylethanamine;hydrochloride

Standard CAS: 729610-18-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
729610-18-8
Multi CAS
Yes
Molecular Formula
C21H21CLN2
Molecular Weight
336.900000
Exact Mass
336.139326
InChI
InChI=1S/C21H20N2.ClH/c1-15(19-11-6-9-16-7-2-4-10-20(16)19)22-14-18-13-17-8-3-5-12-21(17)23-18;/h2-13,15,22-23H,14H2,1H3;1H/t15-;/m1./s1
InChIKey
KFILKQPBQZIRST-XFULWGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
19
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
2
Molar refractivity
104.75
TPSA
27.82

LogP / Solubility

WLOGP
5.59
MLOGP
4.94
XLogP3
5.59
Consensus LogP
5.37
Log S (ESOL)
-5.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.97
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
No
Log Kp (skin permeation)
-0.8

Drug-likeness / Medicinal Chemistry

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

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