![CAS 1375748-41-6 4,9-Dibromo-2,7-bis(3-(dimethylamino)propyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1375748-41-6.gif)
CAS RN: 1375748-41-6
4,9-Dibromo-2,7-bis(3-(dimethylamino)propyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251118 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1375748-41-6
- Purity/Analytical Methods: >99.0%
1375748-41-6 / 2,9-dibromo-6,13-bis[3-(dimethylamino)propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
Basic Information
CAS
1375748-41-6
Multi CAS
No
Molecular Formula
C24H26Br2N4O4
Molecular Weight
594.300000
Exact Mass
594.030030
SMILES
CN(C)CCCN1C(=O)C2=CC(=C3C4=C2C(=C(C=C4C(=O)N(C3=O)CCCN(C)C)Br)C1=O)Br
InChI
InChI=1S/C24H26Br2N4O4/c1-27(2)7-5-9-29-21(31)13-11-16(26)20-18-14(12-15(25)19(17(13)18)23(29)33)22(32)30(24(20)34)10-6-8-28(3)4/h11-12H,5-10H2,1-4H3
InChIKey
LDUGPANERTUNPV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
10
Fraction Csp3
0.42
Rotatable bonds
8
H-bond acceptors
6
Molar refractivity
136.42
TPSA
81.24
LogP / Solubility
WLOGP
3.46
MLOGP
3.09
XLogP3
3.3
Consensus LogP
3.28
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.35
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)
-3.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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