BAS 04085760
TL;DR: BAS 04085760 (CAS 443735-65-7) is a chemical compound with molecular formula C25H19NO3S and molecular weight 413.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(12-oxo-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-11-yl)phenyl] propanoate
Also Known As: BAS 04085760, 4-(5-oxo-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl propanoate, [4-(12-oxo-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-11-yl)phenyl] propanoate, 4-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl propionate, 4-(12-oxo-5H,11H-benzo[b]indeno[3,2-e]1,4-thiazepin-11-yl)phenyl propanoate
| Molecular Formula | C25H19NO3S |
|---|---|
| Molecular Weight | 413.11 g/mol |
| LogP | 5.8685 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.10855 |
| Heavy Atoms | 30 |
| Complexity | 1197.0254 |
Chemical Identifiers
| CAS Number | 443735-65-7 |
|---|---|
| SMILES | CCC(=O)OC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4C3=O)NC5=CC=CC=C5S2 |
Product Overview
BAS 04085760 (CAS 443735-65-7), with molecular formula C25H19NO3S and molecular weight 413.11 g/mol. IUPAC: [4-(12-oxo-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-11-yl)phenyl] propanoate.
Chemical Property Profile of BAS 04085760
Property Insights of BAS 04085760
The XLogP value of 5.8685 indicates that BAS 04085760 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 04085760 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04085760 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 04085760?
The CAS number of BAS 04085760 is 443735-65-7.
What is the molecular formula of BAS 04085760?
The molecular formula of BAS 04085760 is C25H19NO3S.
What is the molecular weight of BAS 04085760?
The molecular weight of BAS 04085760 is 413.11 g/mol.
Where can I buy BAS 04085760?
You can request a quote for BAS 04085760 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04085760?
Yes, KEHONG BIO provides custom synthesis services for BAS 04085760 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.