BAS 05594335
TL;DR: BAS 05594335 (CAS 434293-81-9) is a chemical compound with molecular formula C18H17N3OS and molecular weight 323.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-8-(4-methylphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
Also Known As: BAS 05594335, 3-amino-4-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide, 3-amino-4-(p-tolyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide, 3-Amino-4-p-tolyl-6,7-dihydro-5H-1-thia-8-aza-s-indacene-2-carboxylic acid amide
| Molecular Formula | C18H17N3OS |
|---|---|
| Molecular Weight | 323.11 g/mol |
| LogP | 3.44152 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.10922 |
| Heavy Atoms | 23 |
| Complexity | 941.29535 |
Chemical Identifiers
| CAS Number | 434293-81-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C3C(=C(SC3=NC4=C2CCC4)C(=O)N)N |
Product Overview
BAS 05594335 (CAS 434293-81-9), with molecular formula C18H17N3OS and molecular weight 323.11 g/mol. IUPAC: 6-amino-8-(4-methylphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide.
Chemical Property Profile of BAS 05594335
Property Insights of BAS 05594335
The XLogP value of 3.44152 indicates that BAS 05594335 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05594335. Following Lipinski's Rule of Five, BAS 05594335 has 2 hydrogen bond donor(s) and 4 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 BAS 05594335?
The CAS number of BAS 05594335 is 434293-81-9.
What is the molecular formula of BAS 05594335?
The molecular formula of BAS 05594335 is C18H17N3OS.
What is the molecular weight of BAS 05594335?
The molecular weight of BAS 05594335 is 323.11 g/mol.
Where can I buy BAS 05594335?
You can request a quote for BAS 05594335 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05594335?
Yes, KEHONG BIO provides custom synthesis services for BAS 05594335 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.