![1-(4-methoxyphenyl)-4-phenyl-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide structure](/static/products/848/848685-56-3.png)
1-(4-methoxyphenyl)-4-phenyl-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
TL;DR: 1-(4-methoxyphenyl)-4-phenyl-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide (CAS 848685-56-3) is a chemical compound with molecular formula C27H29N3O2 and molecular weight 427.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methoxyphenyl)-2-phenyl-N-propyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: 1-(4-methoxyphenyl)-4-phenyl-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
| Molecular Formula | C27H29N3O2 |
|---|---|
| Molecular Weight | 427.23 g/mol |
| LogP | 5.5595 |
| Topological Polar Surface Area | 47.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.22598 |
| Heavy Atoms | 32 |
| Complexity | 1250.0414 |
Chemical Identifiers
| CAS Number | 848685-56-3 |
|---|---|
| SMILES | CCCNC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=CC=C4)C5=CC=C(C=C5)OC |
Product Overview
1-(4-methoxyphenyl)-4-phenyl-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide (CAS 848685-56-3), with molecular formula C27H29N3O2 and molecular weight 427.23 g/mol. IUPAC: 6-(4-methoxyphenyl)-2-phenyl-N-propyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of 1-(4-methoxyphenyl)-4-phenyl-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Property Insights of 1-(4-methoxyphenyl)-4-phenyl-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
The XLogP value of 5.5595 indicates that 1-(4-methoxyphenyl)-4-phenyl-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.67 Ų, 1-(4-methoxyphenyl)-4-phenyl-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-methoxyphenyl)-4-phenyl-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-methoxyphenyl)-4-phenyl-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The CAS number of 1-(4-methoxyphenyl)-4-phenyl-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is 848685-56-3.
What is the molecular formula of 1-(4-methoxyphenyl)-4-phenyl-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The molecular formula of 1-(4-methoxyphenyl)-4-phenyl-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is C27H29N3O2.
What is the molecular weight of 1-(4-methoxyphenyl)-4-phenyl-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The molecular weight of 1-(4-methoxyphenyl)-4-phenyl-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is 427.23 g/mol.
Where can I buy 1-(4-methoxyphenyl)-4-phenyl-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
You can request a quote for 1-(4-methoxyphenyl)-4-phenyl-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-methoxyphenyl)-4-phenyl-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methoxyphenyl)-4-phenyl-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.