2-(Phenylmethoxycarbonylamino)propyl 4-methylbenzenesulfonate
TL;DR: 2-(Phenylmethoxycarbonylamino)propyl 4-methylbenzenesulfonate (CAS 392237-29-5) is a chemical compound with molecular formula C18H21NO5S and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(phenylmethoxycarbonylamino)propyl 4-methylbenzenesulfonate
Also Known As: F0304-0061, benzyl N-{1-[(4-methylbenzenesulfonyl)oxy]propan-2-yl}carbamate, 2-(((benzyloxy)carbonyl)amino)propyl 4-methylbenzenesulfonate, 2-(phenylmethoxycarbonylamino)propyl 4-methylbenzenesulfonate, {2-[benzyl(oxycarbonylamino)]propoxy}(oxo)-p-tolyl-lambda-sulfaniumolate
| Molecular Formula | C18H21NO5S |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 3.01522 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 363.11404 |
| Heavy Atoms | 25 |
| Complexity | 787.97595 |
Chemical Identifiers
| CAS Number | 392237-29-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(C)NC(=O)OCC2=CC=CC=C2 |
Product Overview
2-(Phenylmethoxycarbonylamino)propyl 4-methylbenzenesulfonate (CAS 392237-29-5), with molecular formula C18H21NO5S and molecular weight 363.11 g/mol. IUPAC: 2-(phenylmethoxycarbonylamino)propyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-(Phenylmethoxycarbonylamino)propyl 4-methylbenzenesulfonate
Property Insights of 2-(Phenylmethoxycarbonylamino)propyl 4-methylbenzenesulfonate
The XLogP value of 3.01522 indicates that 2-(Phenylmethoxycarbonylamino)propyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Phenylmethoxycarbonylamino)propyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2-(Phenylmethoxycarbonylamino)propyl 4-methylbenzenesulfonate has 1 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-(Phenylmethoxycarbonylamino)propyl 4-methylbenzenesulfonate?
The CAS number of 2-(Phenylmethoxycarbonylamino)propyl 4-methylbenzenesulfonate is 392237-29-5.
What is the molecular formula of 2-(Phenylmethoxycarbonylamino)propyl 4-methylbenzenesulfonate?
The molecular formula of 2-(Phenylmethoxycarbonylamino)propyl 4-methylbenzenesulfonate is C18H21NO5S.
What is the molecular weight of 2-(Phenylmethoxycarbonylamino)propyl 4-methylbenzenesulfonate?
The molecular weight of 2-(Phenylmethoxycarbonylamino)propyl 4-methylbenzenesulfonate is 363.11 g/mol.
Where can I buy 2-(Phenylmethoxycarbonylamino)propyl 4-methylbenzenesulfonate?
You can request a quote for 2-(Phenylmethoxycarbonylamino)propyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylmethoxycarbonylamino)propyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylmethoxycarbonylamino)propyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.