![N-(3-bromophenyl)-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine structure](/static/products/7329/732986-98-0.webp)
N-(3-bromophenyl)-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine
TL;DR: N-(3-bromophenyl)-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine (CAS 732986-98-0) is a chemical compound with molecular formula C20H21BrN4OS and molecular weight 444.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-bromophenyl)-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
Also Known As: N-(3-bromophenyl)-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine, (3-bromophenyl)[2-(morpholin-4-ylmethyl)(5,6,7-trihydrocyclopenta[2,1-d]pyrimi dino[4,5-b]thiophen-4-yl)]amine
| Molecular Formula | C20H21BrN4OS |
|---|---|
| Molecular Weight | 444.06 g/mol |
| LogP | 4.5183 |
| Topological Polar Surface Area | 50.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.06195 |
| Heavy Atoms | 27 |
| Complexity | 983.51733 |
Chemical Identifiers
| CAS Number | 732986-98-0 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=NC(=NC(=C23)NC4=CC(=CC=C4)Br)CN5CCOCC5 |
Product Overview
N-(3-bromophenyl)-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine (CAS 732986-98-0), with molecular formula C20H21BrN4OS and molecular weight 444.06 g/mol. IUPAC: N-(3-bromophenyl)-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine.
Chemical Property Profile of N-(3-bromophenyl)-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine
Property Insights of N-(3-bromophenyl)-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine
The XLogP value of 4.5183 indicates that N-(3-bromophenyl)-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.28 Ų, N-(3-bromophenyl)-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-bromophenyl)-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine has 1 hydrogen bond donor(s) and 6 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 N-(3-bromophenyl)-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine?
The CAS number of N-(3-bromophenyl)-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine is 732986-98-0.
What is the molecular formula of N-(3-bromophenyl)-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine?
The molecular formula of N-(3-bromophenyl)-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine is C20H21BrN4OS.
What is the molecular weight of N-(3-bromophenyl)-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine?
The molecular weight of N-(3-bromophenyl)-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine is 444.06 g/mol.
Where can I buy N-(3-bromophenyl)-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine?
You can request a quote for N-(3-bromophenyl)-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-bromophenyl)-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-bromophenyl)-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.