BAS 04056936
TL;DR: BAS 04056936 (CAS 372977-42-9) is a chemical compound with molecular formula C21H29N5OS and molecular weight 399.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-diethyl-N-(5,5,13-trimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-yl)ethane-1,2-diamine
Also Known As: BAS 04056936, A2907/0122496, N,N-diethyl-N'-(2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)ethane-1,2-diamine, N-[2-(DIETHYLAMINO)ETHYL]-N-(2,8,8-TRIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL)AMINE, N1,N1-diethyl-N2-(2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)ethane-1,2-diamine
| Molecular Formula | C21H29N5OS |
|---|---|
| Molecular Weight | 399.21 g/mol |
| LogP | 4.15292 |
| Topological Polar Surface Area | 63.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.2093 |
| Heavy Atoms | 28 |
| Complexity | 1009.1075 |
Chemical Identifiers
| CAS Number | 372977-42-9 |
|---|---|
| SMILES | CCN(CC)CCNC1=NC(=NC2=C1SC3=C2C=C4COC(CC4=N3)(C)C)C |
Product Overview
BAS 04056936 (CAS 372977-42-9), with molecular formula C21H29N5OS and molecular weight 399.21 g/mol. IUPAC: N',N'-diethyl-N-(5,5,13-trimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-yl)ethane-1,2-diamine.
Chemical Property Profile of BAS 04056936
Property Insights of BAS 04056936
The XLogP value of 4.15292 indicates that BAS 04056936 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.17 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04056936. Following Lipinski's Rule of Five, BAS 04056936 has 1 hydrogen bond donor(s) and 7 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 04056936?
The CAS number of BAS 04056936 is 372977-42-9.
What is the molecular formula of BAS 04056936?
The molecular formula of BAS 04056936 is C21H29N5OS.
What is the molecular weight of BAS 04056936?
The molecular weight of BAS 04056936 is 399.21 g/mol.
Where can I buy BAS 04056936?
You can request a quote for BAS 04056936 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04056936?
Yes, KEHONG BIO provides custom synthesis services for BAS 04056936 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.