CAS RN: 23555-00-2
HOECHST 34580
Product Availability
Choose a grade to view its available package options.
11 package records11 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250301 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251109 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250726 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260507 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250305 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260207 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250104 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20251218 | 5mg / 10mg / 50mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS23555-00-2
- Purity/Analytical Methods: >99.0%
23555-00-2 / N,N-dimethyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
Basic Information
CAS
23555-00-2
Multi CAS
No
Molecular Formula
C27H29N7
Molecular Weight
451.600000
Exact Mass
451.248444
SMILES
CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)N(C)C
InChI
InChI=1S/C27H29N7/c1-32(2)20-7-4-18(5-8-20)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-9-21(17-25(23)31-27)34-14-12-33(3)13-15-34/h4-11,16-17H,12-15H2,1-3H3,(H,28,30)(H,29,31)
InChIKey
VMCOQLKKSNQANE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
24
Fraction Csp3
0.26
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
140.65
TPSA
67.08
LogP / Solubility
WLOGP
4.59
MLOGP
4.07
XLogP3
4.4
Consensus LogP
4.35
Log S (ESOL)
-5.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.89
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)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
3-O-BENZYL-1,2-O-ISOPROPYLIDENE-ALPHA-D-XYLO-PENTODIALDO-1,4-FURANOSE
- CAS RN: 23558-05-6
- Product Code: SSC-114568
-
4-BUTOXYACETANILIDE
- CAS RN: 23563-26-0
- Product Code: starshine_CAS23563-26-0
- Purity/Analytical method: >99.0%
-
-
2-Acetyl-3-methyl-8-(β-D-glucopyranosyloxy)-1,6-naphthalenediol
- CAS RN: 23566-96-3
- Product Code: starshine_CAS23566-96-3
- Purity/Analytical method: >99.0%
-
8-BROMOADENOSINE 5′-MONOPHOSPHATE
- CAS RN: 23567-96-6
- Product Code: starshine_CAS23567-96-6
- Purity/Analytical method: >99.0%
-
TRIS-(1,10-PHENANTHROLINE) RUTHENIUM (II) CHLORIDE
- CAS RN: 23570-43-6
- Product Code: SSC-114635
