RefChem:339298
TL;DR: RefChem:339298 (CAS 60557-53-1) is a chemical compound with molecular formula C22H31Cl2N3O5S and molecular weight 519.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethanol;(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(4-methylphenyl)sulfonylamino]propanoic acid
Also Known As: DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((4-methylphenyl)sulfonyl)-, compd. with 2-aminoethanol (1:1), 2-aminoethanol; (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(4-methylphenyl)sulfonylamino]propanoic acid, 4-[Bis(2-chloroethyl)amino]-N-(4-methylbenzene-1-sulfonyl)-L-phenylalanine--2-aminoethan-1-ol (1/1), RefChem:339298
| Molecular Formula | C22H31Cl2N3O5S |
|---|---|
| Molecular Weight | 519.14 g/mol |
| LogP | 2.19062 |
| Topological Polar Surface Area | 132.96 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 519.13617 |
| Heavy Atoms | 33 |
| Complexity | 933.5086 |
Chemical Identifiers
| CAS Number | 60557-53-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=C(C=C2)N(CCCl)CCCl)C(=O)O.C(CO)N |
Product Overview
RefChem:339298 (CAS 60557-53-1), with molecular formula C22H31Cl2N3O5S and molecular weight 519.14 g/mol. IUPAC: 2-aminoethanol;(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(4-methylphenyl)sulfonylamino]propanoic acid.
Chemical Property Profile of RefChem:339298
Property Insights of RefChem:339298
The XLogP value of 2.19062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:339298. The TPSA of 132.96 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:339298. Following Lipinski's Rule of Five, RefChem:339298 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:339298?
The CAS number of RefChem:339298 is 60557-53-1.
What is the molecular formula of RefChem:339298?
The molecular formula of RefChem:339298 is C22H31Cl2N3O5S.
What is the molecular weight of RefChem:339298?
The molecular weight of RefChem:339298 is 519.14 g/mol.
Where can I buy RefChem:339298?
You can request a quote for RefChem:339298 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:339298?
Yes, KEHONG BIO provides custom synthesis services for RefChem:339298 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.