![methyl 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-ylcarbonylamino)-4-chlorobenzoate structure](/static/products/853/853891-22-2.png)
methyl 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-ylcarbonylamino)-4-chlorobenzoate
TL;DR: methyl 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-ylcarbonylamino)-4-chlorobenzoate (CAS 853891-22-2) is a chemical compound with molecular formula C18H16ClNO5 and molecular weight 361.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-chloro-2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)benzoate
Also Known As: VU0508869-1, F3088-5298, methyl 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-ylcarbonylamino)-4-chlorobenzoate, METHYL 4-CHLORO-2-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-AMIDO)BENZOATE, methyl 4-chloro-2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)benzoate
| Molecular Formula | C18H16ClNO5 |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | 3.5402 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.0717 |
| Heavy Atoms | 25 |
| Complexity | 821.1089 |
Chemical Identifiers
| CAS Number | 853891-22-2 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2=CC3=C(C=C2)OCCCO3 |
Product Overview
methyl 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-ylcarbonylamino)-4-chlorobenzoate (CAS 853891-22-2), with molecular formula C18H16ClNO5 and molecular weight 361.07 g/mol. IUPAC: methyl 4-chloro-2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)benzoate.
Chemical Property Profile of methyl 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-ylcarbonylamino)-4-chlorobenzoate
Property Insights of methyl 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-ylcarbonylamino)-4-chlorobenzoate
The XLogP value of 3.5402 indicates that methyl 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-ylcarbonylamino)-4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-ylcarbonylamino)-4-chlorobenzoate. Following Lipinski's Rule of Five, methyl 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-ylcarbonylamino)-4-chlorobenzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-ylcarbonylamino)-4-chlorobenzoate?
The CAS number of methyl 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-ylcarbonylamino)-4-chlorobenzoate is 853891-22-2.
What is the molecular formula of methyl 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-ylcarbonylamino)-4-chlorobenzoate?
The molecular formula of methyl 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-ylcarbonylamino)-4-chlorobenzoate is C18H16ClNO5.
What is the molecular weight of methyl 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-ylcarbonylamino)-4-chlorobenzoate?
The molecular weight of methyl 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-ylcarbonylamino)-4-chlorobenzoate is 361.07 g/mol.
Where can I buy methyl 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-ylcarbonylamino)-4-chlorobenzoate?
You can request a quote for methyl 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-ylcarbonylamino)-4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-ylcarbonylamino)-4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-ylcarbonylamino)-4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.