苄基氨基亚氨甲硫酯;壬酸
TL;DR: 苄基氨基亚氨甲硫酯;壬酸 (CAS 3807-44-1) is a chemical compound with molecular formula C17H28N2O2S and molecular weight 324.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄基氨基亚氨甲硫酯;壬酸
benzyl carbamimidothioate;nonanoic acid
Also Known As: benzyl carbamimidothioate,nonanoic acid, Benzyl carbamimidothioate;nonanoic acid, benzyl carbamimidothioate; nonanoic acid, Nonanoic acid--benzyl carbamimidothioate (1/1)
| Molecular Formula | C17H28N2O2S |
|---|---|
| Molecular Weight | 324.19 g/mol |
| LogP | 4.63487 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 324.18716 |
| Heavy Atoms | 22 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 3807-44-1 |
|---|---|
| SMILES | CCCCCCCCC(=O)O.C1=CC=C(C=C1)CSC(=N)N |
| InChIKey | UUADOHDWKWFOPT-UHFFFAOYSA-N |
Product Overview
苄基氨基亚氨甲硫酯;壬酸 (CAS 3807-44-1), with molecular formula C17H28N2O2S and molecular weight 324.19 g/mol. IUPAC: benzyl carbamimidothioate;nonanoic acid.
Chemical Property Profile of 苄基氨基亚氨甲硫酯;壬酸
Property Insights of 苄基氨基亚氨甲硫酯;壬酸
The XLogP value of 4.63487 indicates that 苄基氨基亚氨甲硫酯;壬酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 苄基氨基亚氨甲硫酯;壬酸. Following Lipinski's Rule of Five, 苄基氨基亚氨甲硫酯;壬酸 has 3 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 苄基氨基亚氨甲硫酯;壬酸?
The CAS number of 苄基氨基亚氨甲硫酯;壬酸 is 3807-44-1.
What is the molecular formula of 苄基氨基亚氨甲硫酯;壬酸?
The molecular formula of 苄基氨基亚氨甲硫酯;壬酸 is C17H28N2O2S.
What is the molecular weight of 苄基氨基亚氨甲硫酯;壬酸?
The molecular weight of 苄基氨基亚氨甲硫酯;壬酸 is 324.19 g/mol.
Where can I buy 苄基氨基亚氨甲硫酯;壬酸?
You can request a quote for 苄基氨基亚氨甲硫酯;壬酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄基氨基亚氨甲硫酯;壬酸?
Yes, KEHONG BIO provides custom synthesis services for 苄基氨基亚氨甲硫酯;壬酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.