(10-Methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thiophene-4-ylidene)acetic acid
TL;DR: (10-Methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thiophene-4-ylidene)acetic acid (CAS 128439-98-5) is a chemical compound with molecular formula C16H12O3S and molecular weight 284.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(8-methoxy-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-ylidene)acetic acid
Also Known As: 10-Mbctya, IX 207-887, Acetic acid,2-(10-methoxy-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-, IX 207,887, IX-207-887
| Molecular Formula | C16H12O3S |
|---|---|
| Molecular Weight | 284.05 g/mol |
| LogP | 3.7223 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.05072 |
| Heavy Atoms | 20 |
| Complexity | 737.6852 |
Chemical Identifiers
| CAS Number | 128439-98-5 |
|---|---|
| SMILES | COC1=CC2=CC=CC=C2C(=CC(=O)O)C3=C1SC=C3 |
Product Overview
(10-Methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thiophene-4-ylidene)acetic acid (CAS 128439-98-5), with molecular formula C16H12O3S and molecular weight 284.05 g/mol. IUPAC: 2-(8-methoxy-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-ylidene)acetic acid.
Chemical Property Profile of (10-Methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thiophene-4-ylidene)acetic acid
Property Insights of (10-Methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thiophene-4-ylidene)acetic acid
The XLogP value of 3.7223 indicates that (10-Methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thiophene-4-ylidene)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, (10-Methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thiophene-4-ylidene)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (10-Methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thiophene-4-ylidene)acetic acid has 1 hydrogen bond donor(s) and 3 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 (10-Methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thiophene-4-ylidene)acetic acid?
The CAS number of (10-Methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thiophene-4-ylidene)acetic acid is 128439-98-5.
What is the molecular formula of (10-Methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thiophene-4-ylidene)acetic acid?
The molecular formula of (10-Methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thiophene-4-ylidene)acetic acid is C16H12O3S.
What is the molecular weight of (10-Methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thiophene-4-ylidene)acetic acid?
The molecular weight of (10-Methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thiophene-4-ylidene)acetic acid is 284.05 g/mol.
Where can I buy (10-Methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thiophene-4-ylidene)acetic acid?
You can request a quote for (10-Methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thiophene-4-ylidene)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (10-Methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thiophene-4-ylidene)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (10-Methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thiophene-4-ylidene)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.