ASN 12423701
TL;DR: ASN 12423701 (CAS 880808-82-2) is a chemical compound with molecular formula C13H17Cl2N5OS and molecular weight 361.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
Also Known As: ASN 12423701, AN-465/42887016, N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine, (3,5-Dichloro-2-ethoxy-benzyl)-[2-(1-methyl-1H-tetrazol-5-ylsulfanyl)-ethyl]-amine, N-(3,5-dichloro-2-ethoxybenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)thio]ethanamine
| Molecular Formula | C13H17Cl2N5OS |
|---|---|
| Molecular Weight | 361.05 g/mol |
| LogP | 2.7975 |
| Topological Polar Surface Area | 64.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 361.0531 |
| Heavy Atoms | 22 |
| Complexity | 622.4731 |
Chemical Identifiers
| CAS Number | 880808-82-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1Cl)Cl)CNCCSC2=NN=NN2C |
Product Overview
ASN 12423701 (CAS 880808-82-2), with molecular formula C13H17Cl2N5OS and molecular weight 361.05 g/mol. IUPAC: N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine.
Chemical Property Profile of ASN 12423701
Property Insights of ASN 12423701
The XLogP value of 2.7975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ASN 12423701. The TPSA of 64.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 12423701. Following Lipinski's Rule of Five, ASN 12423701 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 ASN 12423701?
The CAS number of ASN 12423701 is 880808-82-2.
What is the molecular formula of ASN 12423701?
The molecular formula of ASN 12423701 is C13H17Cl2N5OS.
What is the molecular weight of ASN 12423701?
The molecular weight of ASN 12423701 is 361.05 g/mol.
Where can I buy ASN 12423701?
You can request a quote for ASN 12423701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 12423701?
Yes, KEHONG BIO provides custom synthesis services for ASN 12423701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.