3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol
TL;DR: 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol (CAS 85850-90-4) is a chemical compound with molecular formula C25H24O3S and molecular weight 404.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-ethyl-5-phenylbenzo[b][1]benzothiepin-2-yl)oxypropane-1,2-diol
Also Known As: C25H24O3S.1/2C3H8O, C25-H24-O3-S.1/2C3-H8-O, 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol, 1,2-Propanediol, 3-((10-ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)-, compd. with isopropyl alcohol (2:1), 3-(6-ethyl-5-phenylbenzo[b][1]benzothiepin-2-yl)oxypropane-1,2-diol
| Molecular Formula | C25H24O3S |
|---|---|
| Molecular Weight | 404.14 g/mol |
| LogP | 5.2523 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.14462 |
| Heavy Atoms | 29 |
| Complexity | 1027.2483 |
Chemical Identifiers
| CAS Number | 85850-90-4 |
|---|---|
| SMILES | CCC1=C(C2=C(C=C(C=C2)OCC(CO)O)SC3=CC=CC=C31)C4=CC=CC=C4 |
Product Overview
3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol (CAS 85850-90-4), with molecular formula C25H24O3S and molecular weight 404.14 g/mol. IUPAC: 3-(6-ethyl-5-phenylbenzo[b][1]benzothiepin-2-yl)oxypropane-1,2-diol.
Chemical Property Profile of 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol
Property Insights of 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol
The XLogP value of 5.2523 indicates that 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.69 Ų, 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol?
The CAS number of 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol is 85850-90-4.
What is the molecular formula of 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol?
The molecular formula of 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol is C25H24O3S.
What is the molecular weight of 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol?
The molecular weight of 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol is 404.14 g/mol.
Where can I buy 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol?
You can request a quote for 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.