MixCom6_002464
TL;DR: MixCom6_002464 (CAS 87192-11-8) is a chemical compound with molecular formula C18H13NO4S and molecular weight 339.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-4,10-dihydro-1H-furo[3,4-c][1,5]benzothiazepin-3-one
Also Known As: MixCom6_002464, BAS 02170291, BIM-0047620.P001, 10-(1,3-benzodioxol-5-yl)-4,10-dihydro-1H,3H-furo[3,4-c][1,5]benzothiazepin-1-one, A2298/0096840
| Molecular Formula | C18H13NO4S |
|---|---|
| Molecular Weight | 339.06 g/mol |
| LogP | 3.4851 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 339.05652 |
| Heavy Atoms | 24 |
| Complexity | 892.3375 |
Chemical Identifiers
| CAS Number | 87192-11-8 |
|---|---|
| SMILES | C1C2=C(C(SC3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C(=O)O1 |
Product Overview
MixCom6_002464 (CAS 87192-11-8), with molecular formula C18H13NO4S and molecular weight 339.06 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-4,10-dihydro-1H-furo[3,4-c][1,5]benzothiazepin-3-one.
Chemical Property Profile of MixCom6_002464
Property Insights of MixCom6_002464
The XLogP value of 3.4851 indicates that MixCom6_002464 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, MixCom6_002464 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MixCom6_002464 has 1 hydrogen bond donor(s) and 6 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 MixCom6_002464?
The CAS number of MixCom6_002464 is 87192-11-8.
What is the molecular formula of MixCom6_002464?
The molecular formula of MixCom6_002464 is C18H13NO4S.
What is the molecular weight of MixCom6_002464?
The molecular weight of MixCom6_002464 is 339.06 g/mol.
Where can I buy MixCom6_002464?
You can request a quote for MixCom6_002464 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002464?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002464 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.