BAS 00515700
TL;DR: BAS 00515700 (CAS 328272-08-8) is a chemical compound with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylsulfanyl-6-(2-methoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: BAS 00515700, AB00093055-01, 3-(butylsulfanyl)-6-(2-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-butylsulfanyl-6-(2-methoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 2-[3-(BUTYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-6-YL]PHENYL METHYL ETHER
| Molecular Formula | C21H22N4O2S |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 4.9425 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.14636 |
| Heavy Atoms | 28 |
| Complexity | 966.64056 |
Chemical Identifiers
| CAS Number | 328272-08-8 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=C4OC)N=N1 |
Product Overview
BAS 00515700 (CAS 328272-08-8), with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol. IUPAC: 3-butylsulfanyl-6-(2-methoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of BAS 00515700
Property Insights of BAS 00515700
The XLogP value of 4.9425 indicates that BAS 00515700 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00515700. Following Lipinski's Rule of Five, BAS 00515700 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 00515700?
The CAS number of BAS 00515700 is 328272-08-8.
What is the molecular formula of BAS 00515700?
The molecular formula of BAS 00515700 is C21H22N4O2S.
What is the molecular weight of BAS 00515700?
The molecular weight of BAS 00515700 is 394.15 g/mol.
Where can I buy BAS 00515700?
You can request a quote for BAS 00515700 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00515700?
Yes, KEHONG BIO provides custom synthesis services for BAS 00515700 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.