![2-[6-(Phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid structure](/static/products/794/79479-30-4.png)
2-[6-(Phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid
TL;DR: 2-[6-(Phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid (CAS 79479-30-4) is a chemical compound with molecular formula C16H23N3O4S and molecular weight 353.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid
Also Known As: 2-[6-(phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid, [({6-[(PHENYLCARBAMOYL)AMINO]HEXYL}CARBAMOYL)SULFANYL]ACETIC ACID
| Molecular Formula | C16H23N3O4S |
|---|---|
| Molecular Weight | 353.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 353.14093 |
| Heavy Atoms | 24 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 79479-30-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NCCCCCCNC(=O)SCC(=O)O |
| InChIKey | SPHDNQACAYTFGM-UHFFFAOYSA-N |
Product Overview
2-[6-(Phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid (CAS 79479-30-4), with molecular formula C16H23N3O4S and molecular weight 353.14 g/mol. IUPAC: 2-[6-(phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid.
Chemical Property Profile of 2-[6-(Phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid
Property Insights of 2-[6-(Phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[6-(Phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[6-(Phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[6-(Phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid has 4 hydrogen bond donor(s) and 5 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 2-[6-(Phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid?
The CAS number of 2-[6-(Phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid is 79479-30-4.
What is the molecular formula of 2-[6-(Phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid?
The molecular formula of 2-[6-(Phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid is C16H23N3O4S.
What is the molecular weight of 2-[6-(Phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid?
The molecular weight of 2-[6-(Phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid is 353.14 g/mol.
Where can I buy 2-[6-(Phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid?
You can request a quote for 2-[6-(Phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[6-(Phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[6-(Phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.