AN-329/41006717
TL;DR: AN-329/41006717 (CAS 443635-09-4) is a chemical compound with molecular formula C18H18BrNO3S and molecular weight 407.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-bromo-4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AN-329/41006717, methyl 2-[(3-bromo-4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(3-bromo-4-methylbenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[(3-bromo-4-methylphenyl)carbonylamino]-4,5,6,7-tetrahydrobenzo[b]thi ophene-3-carboxylate, methyl 2-{[(3-bromo-4-methylphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H18BrNO3S |
|---|---|
| Molecular Weight | 407.02 g/mol |
| LogP | 4.73672 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.01907 |
| Heavy Atoms | 24 |
| Complexity | 812.83545 |
Chemical Identifiers
| CAS Number | 443635-09-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br |
Product Overview
AN-329/41006717 (CAS 443635-09-4), with molecular formula C18H18BrNO3S and molecular weight 407.02 g/mol. IUPAC: methyl 2-[(3-bromo-4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AN-329/41006717
Property Insights of AN-329/41006717
The XLogP value of 4.73672 indicates that AN-329/41006717 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, AN-329/41006717 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-329/41006717 has 1 hydrogen bond donor(s) and 4 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 AN-329/41006717?
The CAS number of AN-329/41006717 is 443635-09-4.
What is the molecular formula of AN-329/41006717?
The molecular formula of AN-329/41006717 is C18H18BrNO3S.
What is the molecular weight of AN-329/41006717?
The molecular weight of AN-329/41006717 is 407.02 g/mol.
Where can I buy AN-329/41006717?
You can request a quote for AN-329/41006717 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/41006717?
Yes, KEHONG BIO provides custom synthesis services for AN-329/41006717 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.