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CAS 24735-18-0 4-Guanidinobutyl 4-hydroxy-3,5-diMethoxybenzoate hydrochloride molecular structure lightbox
CAS RN: 24735-18-0

4-Guanidinobutyl 4-hydroxy-3,5-diMethoxybenzoate hydrochloride

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250515 100mg In stock Shanghai Inquiry
Batchno.20251126 10mg / 50mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Chongqing, Shandong 5-7 business days Inquiry
Batchno.20250219 1g In stock Shanghai Inquiry
Batchno.20251020 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS24735-18-0
  • Purity/Analytical Methods: >99.0%
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24735-18-0 / 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate;hydrochloride

Standard CAS: 24735-18-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24735-18-0
Multi CAS
No
Molecular Formula
C14H22ClN3O5
Molecular Weight
347.790000
Exact Mass
347.124799
SMILES
COC1=CC(=CC(=C1O)OC)C(=O)OCCCCN=C(N)N.Cl
InChI
InChI=1S/C14H21N3O5.ClH/c1-20-10-7-9(8-11(21-2)12(10)18)13(19)22-6-4-3-5-17-14(15)16;/h7-8,18H,3-6H2,1-2H3,(H4,15,16,17);1H
InChIKey
GHVZIMAVDJZQGP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
3
Molar refractivity
88.65
TPSA
129.39

LogP / Solubility

WLOGP
1.04
MLOGP
0.93
XLogP3
1.04
Consensus LogP
1
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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