CAS RN: 157922-77-5
DuocarMycin TM
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251208 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250901 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251219 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260301 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250526 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251115 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260612 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250105 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS157922-77-5
- Purity/Analytical Methods: >99.0%
157922-77-5 / [(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone
Basic Information
CAS
157922-77-5
Multi CAS
No
Molecular Formula
C25H23ClN2O5
Molecular Weight
466.900000
Exact Mass
466.129550
SMILES
COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3C[C@H](C4=C3C=C(C5=CC=CC=C54)O)CCl)OC)OC
InChI
InChI=1S/C25H23ClN2O5/c1-31-20-9-13-8-17(27-22(13)24(33-3)23(20)32-2)25(30)28-12-14(11-26)21-16-7-5-4-6-15(16)19(29)10-18(21)28/h4-10,14,27,29H,11-12H2,1-3H3/t14-/m1/s1
InChIKey
NRHDGIYFJJUFKN-CQSZACIVSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
19
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
128.71
TPSA
84.02
LogP / Solubility
WLOGP
5.04
MLOGP
4.46
XLogP3
4.6
Consensus LogP
4.7
Log S (ESOL)
-6
Class (ESOL)
Insoluble
Log S (Ali)
-7.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.47
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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