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CAS 24342-60-7 1-[(4-CHLOROPHENYL)PHENYLMETHYL]HEXAHYDRO-1H-1,4-DIAZEPINE molecular structure lightbox
CAS RN: 24342-60-7

1-[(4-CHLOROPHENYL)PHENYLMETHYL]HEXAHYDRO-1H-1,4-DIAZEPINE

  • Product code: SSC-118583
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 24342-60-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

24342-60-7 / 1-[(4-chlorophenyl)-phenylmethyl]-1,4-diazepane

Standard CAS: 24342-60-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24342-60-7
Multi CAS
No
Molecular Formula
C18H21ClN2
Molecular Weight
300.800000
Exact Mass
300.139326
SMILES
C1CNCCN(C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H21ClN2/c19-17-9-7-16(8-10-17)18(15-5-2-1-3-6-15)21-13-4-11-20-12-14-21/h1-3,5-10,18,20H,4,11-14H2
InChIKey
RMTYMEIZBKIWGP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
88.8
TPSA
15.27

LogP / Solubility

WLOGP
3.72
MLOGP
3.29
XLogP3
3.8
Consensus LogP
3.6
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
Class (SILICOS-IT)
Slightly soluble

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)
-1.91

Drug-likeness / Medicinal Chemistry

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

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