C20-H24-Cl-N3-O2-S
TL;DR: C20-H24-Cl-N3-O2-S (CAS 104946-78-3) is a chemical compound with molecular formula C20H24ClN3O2S and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-propan-2-ylphenyl) N-[[(4-chloro-2-methylphenyl)iminomethyl-methylamino]sulfanylmethyl]carbamate
Also Known As: Carbamic acid, (((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methyl-, 3-(1-methylethyl)phenyl ester, (3-Propan-2-ylphenyl)n-[[(4-chloro-2-methylphenyl)iminomethyl-methylamino]sulfanylmethyl]carbamate, CARBAMIC ACID, (((((4-CHLORO-2-METHYLPHENYL)IMINO)METHYL)METHYLAMINO)THIO)METHYL, (3-propan-2-ylphenyl) N-[[(4-chloro-2-methylphenyl)iminomethyl-methylamino]sulfanylmethyl]carbamate, 3-(propan-2-yl)phenyl({[{(e)-[(4-chloro-2-methylphenyl)imino]methyl}(methyl)amino]sulfanyl}methyl)carbamate
| Molecular Formula | C20H24ClN3O2S |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.12778 |
| Heavy Atoms | 27 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 104946-78-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)N=CN(C)SCNC(=O)OC2=CC=CC(=C2)C(C)C |
| InChIKey | MBIQQXANVFPOHW-UHFFFAOYSA-N |
Product Overview
C20-H24-Cl-N3-O2-S (CAS 104946-78-3), with molecular formula C20H24ClN3O2S and molecular weight 405.13 g/mol. IUPAC: (3-propan-2-ylphenyl) N-[[(4-chloro-2-methylphenyl)iminomethyl-methylamino]sulfanylmethyl]carbamate.
Chemical Property Profile of C20-H24-Cl-N3-O2-S
Property Insights of C20-H24-Cl-N3-O2-S
The XLogP value of 5.5 indicates that C20-H24-Cl-N3-O2-S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for C20-H24-Cl-N3-O2-S. Following Lipinski's Rule of Five, C20-H24-Cl-N3-O2-S has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20-H24-Cl-N3-O2-S?
The CAS number of C20-H24-Cl-N3-O2-S is 104946-78-3.
What is the molecular formula of C20-H24-Cl-N3-O2-S?
The molecular formula of C20-H24-Cl-N3-O2-S is C20H24ClN3O2S.
What is the molecular weight of C20-H24-Cl-N3-O2-S?
The molecular weight of C20-H24-Cl-N3-O2-S is 405.13 g/mol.
Where can I buy C20-H24-Cl-N3-O2-S?
You can request a quote for C20-H24-Cl-N3-O2-S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20-H24-Cl-N3-O2-S?
Yes, KEHONG BIO provides custom synthesis services for C20-H24-Cl-N3-O2-S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.