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CAS 375357-49-6 AKOS BBS-00005403 molecular structure lightbox
CAS RN: 375357-49-6

AKOS BBS-00005403

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250510 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS375357-49-6
  • Purity/Analytical Methods: >99.0%
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375357-49-6 / 6-chloro-2-N,4-N-bis(3,5-dimethylphenyl)-1,3,5-triazine-2,4-diamine

Standard CAS: 375357-49-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
375357-49-6
Multi CAS
No
Molecular Formula
C19H20CLN5
Molecular Weight
353.800000
Exact Mass
353.140723
InChI
InChI=1S/C19H20ClN5/c1-11-5-12(2)8-15(7-11)21-18-23-17(20)24-19(25-18)22-16-9-13(3)6-14(4)10-16/h5-10H,1-4H3,(H2,21,22,23,24,25)
InChIKey
LWVYCSWVNRFCID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
103.23
TPSA
62.73

LogP / Solubility

WLOGP
5.25
MLOGP
4.63
XLogP3
6.1
Consensus LogP
5.33
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.79
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
Yes
Log Kp (skin permeation)
-1.15

Drug-likeness / Medicinal Chemistry

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

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