![CAS 308242-23-1 (3S)-(7-BroMo-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-propionic acid Methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/308242-23-1.gif)
CAS RN: 308242-23-1
(3S)-(7-BroMo-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-propionic acid Methyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250606 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: SSC-135897
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 2 In Stock | Shanghai | Inquiry |
| 1g | >95% | 2 In Stock | Shanghai | Inquiry |
| 5g | -- | 2 In Stock | Shanghai | Inquiry |
| 5g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 10g | -- | 2 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 25g | -- | 2 In Stock | Shanghai | Inquiry |
| 25g | >95% | 2 In Stock | Beijing | Inquiry |
308242-23-1 / methyl 3-[(3S)-7-bromo-2-oxo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoate
Basic Information
CAS
308242-23-1
Multi CAS
Yes
Molecular Formula
BC18H16O3Rn3
Molecular Weight
402.200000
Exact Mass
401.037500
InChI
InChI=1S/C18H16BrN3O3/c1-25-16(23)8-7-15-18(24)22-13-6-5-11(19)10-12(13)17(21-15)14-4-2-3-9-20-14/h2-6,9-10,15H,7-8H2,1H3,(H,22,24)/t15-/m0/s1
InChIKey
PITXBYGUVDYTBQ-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
97.69
TPSA
80.65
LogP / Solubility
WLOGP
2.96
MLOGP
2.63
XLogP3
1.9
Consensus LogP
2.5
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.21
Class (SILICOS-IT)
Slightly soluble
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)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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