![5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one structure](/static/products/6808/6808-11-3.webp)
5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one
TL;DR: 5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one (CAS 6808-11-3) is a chemical compound with molecular formula C25H21ClN2O3S and molecular weight 464.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one
Also Known As: 5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one, 10-(2-CHLOROBENZYL)-8-(MORPHOLINOCARBONYL)DIBENZO[B,F][1,4]THIAZEPIN-11(10H)-ONE, 10-[(2-Chlorophenyl)methyl]-8-(morpholine-4-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
| Molecular Formula | C25H21ClN2O3S |
|---|---|
| Molecular Weight | 464.10 g/mol |
| LogP | 5.124 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 464.09613 |
| Heavy Atoms | 32 |
| Complexity | 1193.3094 |
Chemical Identifiers
| CAS Number | 6808-11-3 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5Cl |
Product Overview
5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one (CAS 6808-11-3), with molecular formula C25H21ClN2O3S and molecular weight 464.10 g/mol. IUPAC: 5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one.
Chemical Property Profile of 5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one
Property Insights of 5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one
The XLogP value of 5.124 indicates that 5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, 5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one has 0 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 5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one?
The CAS number of 5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one is 6808-11-3.
What is the molecular formula of 5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one?
The molecular formula of 5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one is C25H21ClN2O3S.
What is the molecular weight of 5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one?
The molecular weight of 5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one is 464.10 g/mol.
Where can I buy 5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one?
You can request a quote for 5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.