AB00669787-01
TL;DR: AB00669787-01 (CAS 688353-30-2) is a chemical compound with molecular formula C16H16BrN3O2S2 and molecular weight 424.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: AB00669787-01, F0612-0022, N-(4-bromophenyl)-2-((3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide, N-(4-bromophenyl)-2-({3,6-dimethyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide, N-(4-bromophenyl)-2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C16H16BrN3O2S2 |
|---|---|
| Molecular Weight | 424.99 g/mol |
| LogP | 3.3103 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.98672 |
| Heavy Atoms | 24 |
| Complexity | 836.45154 |
Chemical Identifiers
| CAS Number | 688353-30-2 |
|---|---|
| SMILES | CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)Br)C |
Product Overview
AB00669787-01 (CAS 688353-30-2), with molecular formula C16H16BrN3O2S2 and molecular weight 424.99 g/mol. IUPAC: N-(4-bromophenyl)-2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00669787-01
Property Insights of AB00669787-01
The XLogP value of 3.3103 indicates that AB00669787-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00669787-01. Following Lipinski's Rule of Five, AB00669787-01 has 1 hydrogen bond donor(s) and 5 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 AB00669787-01?
The CAS number of AB00669787-01 is 688353-30-2.
What is the molecular formula of AB00669787-01?
The molecular formula of AB00669787-01 is C16H16BrN3O2S2.
What is the molecular weight of AB00669787-01?
The molecular weight of AB00669787-01 is 424.99 g/mol.
Where can I buy AB00669787-01?
You can request a quote for AB00669787-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00669787-01?
Yes, KEHONG BIO provides custom synthesis services for AB00669787-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.