C18H17BrN4S
TL;DR: C18H17BrN4S (CAS 304688-35-5) is a chemical compound with molecular formula C18H17BrN4S and molecular weight 400.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-1-(4-bromophenyl)ethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Also Known As: BAS 00191435, (E)-4-(2-(1-(4-bromophenyl)ethylidene)hydrazinyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine, [(1E)-2-(4-bromophenyl)-1-azaprop-1-enyl]-5,6,7,8-tetrahydrobenzo[b]thiopheno[ 3,2-e]pyrimidin-4-ylamine, 4-{(2E)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
| Molecular Formula | C18H17BrN4S |
|---|---|
| Molecular Weight | 400.04 g/mol |
| LogP | 5.1687 |
| Topological Polar Surface Area | 50.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.03574 |
| Heavy Atoms | 24 |
| Complexity | 914.6635 |
Chemical Identifiers
| CAS Number | 304688-35-5 |
|---|---|
| SMILES | C/C(=N\NC1=C2C3=C(CCCC3)SC2=NC=N1)/C4=CC=C(C=C4)Br |
Product Overview
C18H17BrN4S (CAS 304688-35-5), with molecular formula C18H17BrN4S and molecular weight 400.04 g/mol. IUPAC: N-[(E)-1-(4-bromophenyl)ethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
Chemical Property Profile of C18H17BrN4S
Property Insights of C18H17BrN4S
The XLogP value of 5.1687 indicates that C18H17BrN4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.17 Ų, C18H17BrN4S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H17BrN4S has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C18H17BrN4S?
The CAS number of C18H17BrN4S is 304688-35-5.
What is the molecular formula of C18H17BrN4S?
The molecular formula of C18H17BrN4S is C18H17BrN4S.
What is the molecular weight of C18H17BrN4S?
The molecular weight of C18H17BrN4S is 400.04 g/mol.
Where can I buy C18H17BrN4S?
You can request a quote for C18H17BrN4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H17BrN4S?
Yes, KEHONG BIO provides custom synthesis services for C18H17BrN4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.