TimTec1_006069
TL;DR: TimTec1_006069 (CAS 1005116-29-9) is a chemical compound with molecular formula C21H16BrN3O3S and molecular weight 469.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-(4-bromophenyl)-4-(4-methoxyphenyl)-5,7-dioxo-4a,7a-dihydro-4H-thiopyrano[2,3-c]pyrrole-3-carbonitrile
Also Known As: TimTec1_006069, A3271/0139134, 2-amino-6-(4-bromophenyl)-4-(4-methoxyphenyl)-5,7-dioxo-4,4a,5,6,7,7a-hexahydrothiopyrano[2,3-c]pyrrole-3-carbonitrile, 2-amino-6-(4-bromophenyl)-4-(4-methoxyphenyl)-5,7-dioxo-4a,7a-dihydro-4H-thiopyrano[2,3-c]pyrrole-3-carbonitrile, 2-AMINO-6-(4-BROMOPHENYL)-4-(4-METHOXYPHENYL)-5,7-DIOXO-4H,4AH,5H,6H,7H,7AH-THIOPYRANO[2,3-C]PYRROLE-3-CARBONITRILE
| Molecular Formula | C21H16BrN3O3S |
|---|---|
| Molecular Weight | 469.01 g/mol |
| LogP | 3.54018 |
| Topological Polar Surface Area | 96.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 469.00958 |
| Heavy Atoms | 29 |
| Complexity | 1060.0741 |
Chemical Identifiers
| CAS Number | 1005116-29-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Br)SC(=C2C#N)N |
Product Overview
TimTec1_006069 (CAS 1005116-29-9), with molecular formula C21H16BrN3O3S and molecular weight 469.01 g/mol. IUPAC: 2-amino-6-(4-bromophenyl)-4-(4-methoxyphenyl)-5,7-dioxo-4a,7a-dihydro-4H-thiopyrano[2,3-c]pyrrole-3-carbonitrile.
Chemical Property Profile of TimTec1_006069
Property Insights of TimTec1_006069
The XLogP value of 3.54018 indicates that TimTec1_006069 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.42 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_006069. Following Lipinski's Rule of Five, TimTec1_006069 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 TimTec1_006069?
The CAS number of TimTec1_006069 is 1005116-29-9.
What is the molecular formula of TimTec1_006069?
The molecular formula of TimTec1_006069 is C21H16BrN3O3S.
What is the molecular weight of TimTec1_006069?
The molecular weight of TimTec1_006069 is 469.01 g/mol.
Where can I buy TimTec1_006069?
You can request a quote for TimTec1_006069 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_006069?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_006069 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.