![methyl 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxylate structure](/static/products/995/99554-40-2.png)
methyl 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxylate
TL;DR: methyl 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxylate (CAS 99554-40-2) is a chemical compound with molecular formula C16H15NO2 and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5,6-dihydrobenzo[b][1]benzazepine-11-carboxylate
Also Known As: ChemDiv1_021113, BAS 01947519, methyl 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxylate, methyl 5,6-dihydrobenzo[b][1]benzazepine-11-carboxylate, 5H-Dibenz[b,f]azepine-5-carboxylic acid, 10,11-dihydro-, methyl ester
| Molecular Formula | C16H15NO2 |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.11028 |
| Heavy Atoms | 19 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 99554-40-2 |
|---|---|
| SMILES | COC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31 |
| InChIKey | XDYSRIVVDQDQIV-UHFFFAOYSA-N |
Product Overview
methyl 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxylate (CAS 99554-40-2), with molecular formula C16H15NO2 and molecular weight 253.11 g/mol. IUPAC: methyl 5,6-dihydrobenzo[b][1]benzazepine-11-carboxylate.
Chemical Property Profile of methyl 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxylate
Property Insights of methyl 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxylate
The XLogP value of 3.5 indicates that methyl 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, methyl 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxylate has 0 hydrogen bond donor(s) and 2 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 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxylate?
The CAS number of methyl 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxylate is 99554-40-2.
What is the molecular formula of methyl 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxylate?
The molecular formula of methyl 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxylate is C16H15NO2.
What is the molecular weight of methyl 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxylate?
The molecular weight of methyl 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxylate is 253.11 g/mol.
Where can I buy methyl 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxylate?
You can request a quote for methyl 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.