![CAS 899374-45-9 5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/899374-45-9.gif)
CAS RN: 899374-45-9
5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one
- Product code: SSC-202125
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
899374-45-9 / 5-chloro-1,3-dimethyl-6-nitrobenzimidazol-2-one
Basic Information
CAS
899374-45-9
Multi CAS
No
Molecular Formula
C9H8CLN3O3
Molecular Weight
241.630000
Exact Mass
241.025419
InChI
InChI=1S/C9H8ClN3O3/c1-11-7-3-5(10)6(13(15)16)4-8(7)12(2)9(11)14/h3-4H,1-2H3
InChIKey
LWWKJTPDNAEDJA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
59.82
TPSA
70.07
LogP / Solubility
WLOGP
1.44
MLOGP
1.27
XLogP3
1.4
Consensus LogP
1.37
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17
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
1.5
Customers Also Viewed
-
-
-
-
6-BROMO-8-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIDINE
- CAS RN: 899429-04-0
- Product Code: SSC-202151
-
Gymnoside III
- CAS RN: 899430-03-6
- Product Code: starshine_CAS899430-03-6
- Purity/Analytical method: >99.0%
-
Gymnoside VII
- CAS RN: 899430-07-0
- Product Code: starshine_CAS899430-07-0
- Purity/Analytical method: >99.0%
![CAS 899429-04-0 6-BROMO-8-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/899429-04-0.gif)
