BAS 01313069
TL;DR: BAS 01313069 (CAS 337488-82-1) is a chemical compound with molecular formula C31H39N3O3S and molecular weight 533.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: BAS 01313069, AH-262/37288003, ethyl 2-(2-(8-cyclohexyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-3(2H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate, Ethyl 2-[[2-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-{[(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
| Molecular Formula | C31H39N3O3S |
|---|---|
| Molecular Weight | 533.27 g/mol |
| LogP | 6.87574 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 533.27124 |
| Heavy Atoms | 38 |
| Complexity | 1380.9009 |
Chemical Identifiers
| CAS Number | 337488-82-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2CCN3C4=C(C=C(C=C4)C5CCCCC5)C6=C3C2CCC6 |
Product Overview
BAS 01313069 (CAS 337488-82-1), with molecular formula C31H39N3O3S and molecular weight 533.27 g/mol. IUPAC: ethyl 2-[[2-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of BAS 01313069
Property Insights of BAS 01313069
The XLogP value of 6.87574 indicates that BAS 01313069 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01313069. Following Lipinski's Rule of Five, BAS 01313069 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01313069?
The CAS number of BAS 01313069 is 337488-82-1.
What is the molecular formula of BAS 01313069?
The molecular formula of BAS 01313069 is C31H39N3O3S.
What is the molecular weight of BAS 01313069?
The molecular weight of BAS 01313069 is 533.27 g/mol.
Where can I buy BAS 01313069?
You can request a quote for BAS 01313069 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01313069?
Yes, KEHONG BIO provides custom synthesis services for BAS 01313069 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.