1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea
TL;DR: 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea (CAS 306280-57-9) is a chemical compound with molecular formula C13H16BrN3S and molecular weight 325.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea
Also Known As: 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea, BIM-0049452.P001, N-(4-bromophenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)carbamimidothioic acid
| Molecular Formula | C13H16BrN3S |
|---|---|
| Molecular Weight | 325.02 g/mol |
| LogP | 3.4716 |
| Topological Polar Surface Area | 41.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.02484 |
| Heavy Atoms | 18 |
| Complexity | 455.80908 |
Chemical Identifiers
| CAS Number | 306280-57-9 |
|---|---|
| SMILES | C1CCC(=NCC1)N(C2=CC=C(C=C2)Br)C(=S)N |
Product Overview
1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea (CAS 306280-57-9), with molecular formula C13H16BrN3S and molecular weight 325.02 g/mol. IUPAC: 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea.
Chemical Property Profile of 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea
Property Insights of 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea
The XLogP value of 3.4716 indicates that 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.62 Ų, 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea has 1 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 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea?
The CAS number of 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea is 306280-57-9.
What is the molecular formula of 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea?
The molecular formula of 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea is C13H16BrN3S.
What is the molecular weight of 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea?
The molecular weight of 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea is 325.02 g/mol.
Where can I buy 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea?
You can request a quote for 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.