![CAS 53994-69-7 (6R,7R)-7-Amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/53994-69-7.png)
CAS RN: 53994-69-7
(6R,7R)-7-Amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Product Availability
Choose a grade to view its available package options.
11 package records10 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250713 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250503 | 10g | In stock | Shandong | Inquiry | |
| Batchno.20250115 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20251106 | 1g | In stock | Shanghai, Shandong | Inquiry | |
| Batchno.20260616 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251108 | 250mg | In stock | Shanghai, Shandong, Chongqing | Inquiry | |
| Batchno.20250614 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20251021 | 25g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250216 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20250411 | 5g | In stock | Shanghai, Guangdong | Inquiry | |
| Batchno.20250703 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-161462
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
53994-69-7 / (6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Basic Information
CAS
53994-69-7
Multi CAS
Yes
Molecular Formula
C7H7CLN2O3S
Molecular Weight
234.660000
Exact Mass
233.986591
InChI
InChI=1S/C7H7ClN2O3S/c8-2-1-14-6-3(9)5(11)10(6)4(2)7(12)13/h3,6H,1,9H2,(H,12,13)/t3-,6-/m1/s1
InChIKey
OQSAFIZCBAZPMY-AWFVSMACSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.58
TPSA
83.63
LogP / Solubility
WLOGP
-0.24
MLOGP
-0.2
XLogP3
-2.8
Consensus LogP
-1.08
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
-
7-Chloro-5-methyl-3,4-dihydronaphthalen-1(2H)-one
- CAS RN: 1092348-30-5
- Product Code: LINC901538
-
-
![CAS 602303-26-4 7-chloro-2-iodothieno[3,2-b]pyridine, 97+% molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c857284.gif)
![CAS 1353101-37-7 7-Chlorothiazolo[4,5-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1353101-37-7.png)
![CAS 89583-90-4 7-Chlorobenzo[d]isothiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/89583-90-4.png)