AB00716211-01
TL;DR: AB00716211-01 (CAS 315707-67-6) is a chemical compound with molecular formula C18H17N5O3S2 and molecular weight 415.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AB00716211-01, AF-399/15335314, methyl 2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-({[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C18H17N5O3S2 |
|---|---|
| Molecular Weight | 415.08 g/mol |
| LogP | 2.7299 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.07727 |
| Heavy Atoms | 28 |
| Complexity | 1015.66 |
Chemical Identifiers
| CAS Number | 315707-67-6 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=NN3C4=CC=CC=C4 |
Product Overview
AB00716211-01 (CAS 315707-67-6), with molecular formula C18H17N5O3S2 and molecular weight 415.08 g/mol. IUPAC: methyl 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AB00716211-01
Property Insights of AB00716211-01
The XLogP value of 2.7299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00716211-01. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00716211-01. Following Lipinski's Rule of Five, AB00716211-01 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 AB00716211-01?
The CAS number of AB00716211-01 is 315707-67-6.
What is the molecular formula of AB00716211-01?
The molecular formula of AB00716211-01 is C18H17N5O3S2.
What is the molecular weight of AB00716211-01?
The molecular weight of AB00716211-01 is 415.08 g/mol.
Where can I buy AB00716211-01?
You can request a quote for AB00716211-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00716211-01?
Yes, KEHONG BIO provides custom synthesis services for AB00716211-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.