|A-Sulfocaprinsaeure
TL;DR: |A-Sulfocaprinsaeure (CAS 5917-52-2) is a chemical compound with molecular formula C30H39N3O4S and molecular weight 537.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
Also Known As: A-Sulfocaprinsaeure, 2-Sulfo-decanoic acid, 2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide, N-(Butan-2-yl)-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N'-(2,4-dimethylphenyl)carbamimidic acid, N-Butan-2-yl-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N'-(2,4-dimethylphenyl)carbamimidic acid
| Molecular Formula | C30H39N3O4S |
|---|---|
| Molecular Weight | 537.27 g/mol |
| LogP | 6.28604 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 537.2661 |
| Heavy Atoms | 38 |
| Complexity | 1212.2119 |
Chemical Identifiers
| CAS Number | 5917-52-2 |
|---|---|
| SMILES | CCC(C)N(CC(=O)N(CCC1=CC(=C(C=C1)OC)OC)CC2=CC=CS2)C(=O)NC3=C(C=C(C=C3)C)C |
Product Overview
|A-Sulfocaprinsaeure (CAS 5917-52-2), with molecular formula C30H39N3O4S and molecular weight 537.27 g/mol. IUPAC: 2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide.
Chemical Property Profile of |A-Sulfocaprinsaeure
Property Insights of |A-Sulfocaprinsaeure
The XLogP value of 6.28604 indicates that |A-Sulfocaprinsaeure is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for |A-Sulfocaprinsaeure. Following Lipinski's Rule of Five, |A-Sulfocaprinsaeure has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of |A-Sulfocaprinsaeure?
The CAS number of |A-Sulfocaprinsaeure is 5917-52-2.
What is the molecular formula of |A-Sulfocaprinsaeure?
The molecular formula of |A-Sulfocaprinsaeure is C30H39N3O4S.
What is the molecular weight of |A-Sulfocaprinsaeure?
The molecular weight of |A-Sulfocaprinsaeure is 537.27 g/mol.
Where can I buy |A-Sulfocaprinsaeure?
You can request a quote for |A-Sulfocaprinsaeure directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for |A-Sulfocaprinsaeure?
Yes, KEHONG BIO provides custom synthesis services for |A-Sulfocaprinsaeure and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.