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CAS 15942-08-2 AMbroxol hydrochloride iMpurity B molecular structure lightbox
CAS RN: 15942-08-2

AMbroxol hydrochloride iMpurity B

  • Product code: SSC-067417
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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 15942-08-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

15942-08-2 / 4-(6,8-dibromo-2,4-dihydro-1H-quinazolin-3-yl)cyclohexan-1-ol;hydrochloride

Standard CAS: 15942-08-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15942-08-2
Multi CAS
No
Molecular Formula
C14H19Br2ClN2O
Molecular Weight
426.570000
Exact Mass
425.953220
SMILES
C1CC(CCC1N2CC3=C(C(=CC(=C3)Br)Br)NC2)O.Cl
InChI
InChI=1S/C14H18Br2N2O.ClH/c15-10-5-9-7-18(8-17-14(9)13(16)6-10)11-1-3-12(19)4-2-11;/h5-6,11-12,17,19H,1-4,7-8H2;1H
InChIKey
ICLHRFYBPXBCPE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
91.39
TPSA
35.5

LogP / Solubility

WLOGP
4.12
MLOGP
3.65
XLogP3
4.12
Consensus LogP
3.96
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.97
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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