CAS RN: 2271358-65-5

UAMC-3203 hydrochloride

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8 package records8 with current stock2 grade groups
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Batchno.20250301 5mg / 10mg / 50mg Confirm by inquiry Shandong Inquiry
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Batchno.20250527 100mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS2271358-65-5
  • Purity/Analytical Methods: >99.0%
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2271358-65-5 / 3-(benzylamino)-4-(cyclohexylamino)-N-(2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride

Standard CAS: 2271358-65-5 Multi CAS: No

Basic Information

CAS
2271358-65-5
Multi CAS
No
Molecular Formula
C25H38ClN5O2S
Molecular Weight
508.100000
Exact Mass
507.243474
SMILES
C1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)NCCN3CCNCC3)NCC4=CC=CC=C4.Cl
InChI
InChI=1S/C25H37N5O2S.ClH/c31-33(32,28-15-18-30-16-13-26-14-17-30)23-11-12-24(29-22-9-5-2-6-10-22)25(19-23)27-20-21-7-3-1-4-8-21;/h1,3-4,7-8,11-12,19,22,26-29H,2,5-6,9-10,13-18,20H2;1H
InChIKey
WBZHHIZXEXJBSM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
4
Molar refractivity
142.45
TPSA
85.5

LogP / Solubility

WLOGP
3.65
MLOGP
3.25
XLogP3
3.65
Consensus LogP
3.52
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.19
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.23

Drug-likeness / Medicinal Chemistry

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

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