AO-081/42097270
TL;DR: AO-081/42097270 (CAS 677328-83-5) is a chemical compound with molecular formula C17H17Cl2NO5S2 and molecular weight 448.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2,3-dichloro-4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AO-081/42097270, methyl 2-{[(2,3-dichloro-4-methoxyphenyl)sulfonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[(2,3-dichloro-4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2,3-dichloro-4-methoxyphenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C17H17Cl2NO5S2 |
|---|---|
| Molecular Weight | 448.99 g/mol |
| LogP | 4.5297 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.99252 |
| Heavy Atoms | 27 |
| Complexity | 1001.2381 |
Chemical Identifiers
| CAS Number | 677328-83-5 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)S(=O)(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Cl)Cl |
Product Overview
AO-081/42097270 (CAS 677328-83-5), with molecular formula C17H17Cl2NO5S2 and molecular weight 448.99 g/mol. IUPAC: methyl 2-[(2,3-dichloro-4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AO-081/42097270
Property Insights of AO-081/42097270
The XLogP value of 4.5297 indicates that AO-081/42097270 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/42097270. Following Lipinski's Rule of Five, AO-081/42097270 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 AO-081/42097270?
The CAS number of AO-081/42097270 is 677328-83-5.
What is the molecular formula of AO-081/42097270?
The molecular formula of AO-081/42097270 is C17H17Cl2NO5S2.
What is the molecular weight of AO-081/42097270?
The molecular weight of AO-081/42097270 is 448.99 g/mol.
Where can I buy AO-081/42097270?
You can request a quote for AO-081/42097270 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/42097270?
Yes, KEHONG BIO provides custom synthesis services for AO-081/42097270 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.