RefChem:309747
TL;DR: RefChem:309747 (CAS 80761-76-8) is a chemical compound with molecular formula C13H18BrN5S and molecular weight 355.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N,7,7-trimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazine-4,9-diamine;hydrobromide
Also Known As: 6H-Pyrimido(4,5-b)(1,4)benzothiazine, 7,8-dihydro-9-amino-7,7-dimethyl-4-(methylamino)-, hydrobromide, 7,8-Dihydro-9-amino-7,7-dimethyl-4-(methylamino)-6H-pyrimido(4,5-b)(1,4)benzothiazine HBr, 4-N,7,7-trimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazine-4,9-diamine hydrobromide, N~4~,7,7-Trimethyl-7,8-dihydro-6H-pyrimido[4,5-b][1,4]benzothiazine-4,9-diamine--hydrogen bromide (1/1), RefChem:309747
| Molecular Formula | C13H18BrN5S |
|---|---|
| Molecular Weight | 355.05 g/mol |
| LogP | 3.2647 |
| Topological Polar Surface Area | 76.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 355.04663 |
| Heavy Atoms | 20 |
| Complexity | 608.7791 |
Chemical Identifiers
| CAS Number | 80761-76-8 |
|---|---|
| SMILES | CC1(CC(=C2C(=NC3=C(N=CN=C3S2)NC)C1)N)C.Br |
Product Overview
RefChem:309747 (CAS 80761-76-8), with molecular formula C13H18BrN5S and molecular weight 355.05 g/mol. IUPAC: 4-N,7,7-trimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazine-4,9-diamine;hydrobromide.
Chemical Property Profile of RefChem:309747
Property Insights of RefChem:309747
The XLogP value of 3.2647 indicates that RefChem:309747 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.19 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:309747. Following Lipinski's Rule of Five, RefChem:309747 has 2 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 RefChem:309747?
The CAS number of RefChem:309747 is 80761-76-8.
What is the molecular formula of RefChem:309747?
The molecular formula of RefChem:309747 is C13H18BrN5S.
What is the molecular weight of RefChem:309747?
The molecular weight of RefChem:309747 is 355.05 g/mol.
Where can I buy RefChem:309747?
You can request a quote for RefChem:309747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:309747?
Yes, KEHONG BIO provides custom synthesis services for RefChem:309747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.