BAS 13118807
TL;DR: BAS 13118807 (CAS 354785-15-2) is a chemical compound with molecular formula C27H30N4O3S and molecular weight 490.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-butylsulfanyl-6-(4-cyclopentyloxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: BAS 13118807, AN-655/14766061, 1-[3-butylsulfanyl-6-(4-cyclopentyloxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-[3-(butylsulfanyl)-6-[4-(cyclopentyloxy)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone, 7-acetyl-3-(butylsulfanyl)-6-[4-(cyclopentyloxy)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C27H30N4O3S |
|---|---|
| Molecular Weight | 490.20 g/mol |
| LogP | 6.1963 |
| Topological Polar Surface Area | 77.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.20386 |
| Heavy Atoms | 35 |
| Complexity | 1181.2988 |
Chemical Identifiers
| CAS Number | 354785-15-2 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(C=C4)OC5CCCC5)C(=O)C)N=N1 |
Product Overview
BAS 13118807 (CAS 354785-15-2), with molecular formula C27H30N4O3S and molecular weight 490.20 g/mol. IUPAC: 1-[3-butylsulfanyl-6-(4-cyclopentyloxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of BAS 13118807
Property Insights of BAS 13118807
The XLogP value of 6.1963 indicates that BAS 13118807 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13118807. Following Lipinski's Rule of Five, BAS 13118807 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 13118807?
The CAS number of BAS 13118807 is 354785-15-2.
What is the molecular formula of BAS 13118807?
The molecular formula of BAS 13118807 is C27H30N4O3S.
What is the molecular weight of BAS 13118807?
The molecular weight of BAS 13118807 is 490.20 g/mol.
Where can I buy BAS 13118807?
You can request a quote for BAS 13118807 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13118807?
Yes, KEHONG BIO provides custom synthesis services for BAS 13118807 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.