AB00115744-01
TL;DR: AB00115744-01 (CAS 315682-58-7) is a chemical compound with molecular formula C21H23N5O3S2 and molecular weight 457.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: AB00115744-01, AF-399/15128440, ethyl 2-({[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C21H23N5O3S2 |
|---|---|
| Molecular Weight | 457.12 g/mol |
| LogP | 3.9002 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.12424 |
| Heavy Atoms | 31 |
| Complexity | 1064.4121 |
Chemical Identifiers
| CAS Number | 315682-58-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=NN3C4=CC=CC=C4 |
Product Overview
AB00115744-01 (CAS 315682-58-7), with molecular formula C21H23N5O3S2 and molecular weight 457.12 g/mol. IUPAC: ethyl 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of AB00115744-01
Property Insights of AB00115744-01
The XLogP value of 3.9002 indicates that AB00115744-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00115744-01. Following Lipinski's Rule of Five, AB00115744-01 has 1 hydrogen bond donor(s) and 8 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 AB00115744-01?
The CAS number of AB00115744-01 is 315682-58-7.
What is the molecular formula of AB00115744-01?
The molecular formula of AB00115744-01 is C21H23N5O3S2.
What is the molecular weight of AB00115744-01?
The molecular weight of AB00115744-01 is 457.12 g/mol.
Where can I buy AB00115744-01?
You can request a quote for AB00115744-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115744-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115744-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.