![CAS 857035-29-1 Ethyl 2-chloro-1H-benzo[d]imidazole-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2026/07/857035-29-1.png)
CAS RN: 857035-29-1
Ethyl 2-chloro-1H-benzo[d]imidazole-6-carboxylate
Product Availability
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7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250117 | 100mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250930 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20251020 | 1g | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20251005 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20260213 | 50mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250626 | 50mg / 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260419 | 5g | In stock | Shanghai | Inquiry |
857035-29-1 / ethyl 2-chloro-3H-benzimidazole-5-carboxylate
ETHYL 2-CHLORO-1H-BENZO[D]IMIDAZOLE-6-CARBOXYLATE | MFCD12827540 | ETHYL 2-CHLORO-3H-BENZIMIDAZOLE-5-CARBOXYLATE
Basic Information
CAS
857035-29-1
Multi CAS
No
Molecular Formula
C10H9CLN2O2
Molecular Weight
224.640000
Exact Mass
224.035255
SMILES
CCOC(=O)C1=CC2=C(C=C1)N=C(N2)Cl
InChI
InChI=1S/C10H9ClN2O2/c1-2-15-9(14)6-3-4-7-8(5-6)13-10(11)12-7/h3-5H,2H2,1H3,(H,12,13)
InChIKey
LVIQNMQUZOMYAX-UHFFFAOYSA-N
Synonyms
ETHYL 2-CHLORO-1H-BENZO[D]IMIDAZOLE-6-CARBOXYLATE
MFCD12827540
ETHYL 2-CHLORO-3H-BENZIMIDAZOLE-5-CARBOXYLATE
2-CHLORO-1H-BENZIMIDAZOLE-6-CARBOXYLIC ACID ETHYL ESTER
Ethyl 2-chloro-1H-benzo[d]imidazole-5-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.06
TPSA
54.98
LogP / Solubility
WLOGP
2.39
MLOGP
2.11
XLogP3
2.7
Consensus LogP
2.4
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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