MixCom6_001978
TL;DR: MixCom6_001978 (CAS 333768-38-0) is a chemical compound with molecular formula C18H16BrN3OS and molecular weight 401.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-bromophenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: MixCom6_001978, BAS 00944046, BIM-0032297.P001, AB00096315-01, AE-848/12918256
| Molecular Formula | C18H16BrN3OS |
|---|---|
| Molecular Weight | 401.02 g/mol |
| LogP | 3.8806 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.01974 |
| Heavy Atoms | 24 |
| Complexity | 820.0234 |
Chemical Identifiers
| CAS Number | 333768-38-0 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=CC=C2Br)C(=O)NC3=CC=CC=C3 |
Product Overview
MixCom6_001978 (CAS 333768-38-0), with molecular formula C18H16BrN3OS and molecular weight 401.02 g/mol. IUPAC: 4-(2-bromophenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of MixCom6_001978
Property Insights of MixCom6_001978
The XLogP value of 3.8806 indicates that MixCom6_001978 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, MixCom6_001978 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MixCom6_001978 has 3 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 MixCom6_001978?
The CAS number of MixCom6_001978 is 333768-38-0.
What is the molecular formula of MixCom6_001978?
The molecular formula of MixCom6_001978 is C18H16BrN3OS.
What is the molecular weight of MixCom6_001978?
The molecular weight of MixCom6_001978 is 401.02 g/mol.
Where can I buy MixCom6_001978?
You can request a quote for MixCom6_001978 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_001978?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_001978 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.