C18H20ClN3S.ClH
TL;DR: C18H20ClN3S.ClH (CAS 101398-50-9) is a chemical compound with molecular formula C18H21Cl2N3S and molecular weight 381.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[3-(2-chlorophenothiazin-10-yl)propyl]-N,N-dimethylmethanimidamide;hydrochloride
Also Known As: 2-Chloro-9-(dimethylamino)methyleneaminopropylphenothiazine, hydrochloride, Formamidine, N'-(3-(2-chloro-10-phenothiazinyl)propyl)-N,N-dimethyl-, hydrochloride, N'-[3-(2-Chlorophenothiazin-10-yl)propyl]-N,N-dimethylmethanimidamidehydrochloride, N'-[3-(2-chlorophenothiazin-10-yl)propyl]-N,N-dimethylmethanimidamide, N'-[3-(2-chlorophenothiazin-10-yl)propyl]-N,N-dimethylmethanimidamide hydrochloride
| Molecular Formula | C18H21Cl2N3S |
|---|---|
| Molecular Weight | 381.08 g/mol |
| LogP | 5.34 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.0833 |
| Heavy Atoms | 24 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 101398-50-9 |
|---|---|
| SMILES | CN(C)C=NCCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl |
| InChIKey | VANQNKXQDBOEJQ-UHFFFAOYSA-N |
Product Overview
C18H20ClN3S.ClH (CAS 101398-50-9), with molecular formula C18H21Cl2N3S and molecular weight 381.08 g/mol. IUPAC: N'-[3-(2-chlorophenothiazin-10-yl)propyl]-N,N-dimethylmethanimidamide;hydrochloride.
Chemical Property Profile of C18H20ClN3S.ClH
Property Insights of C18H20ClN3S.ClH
The XLogP value of 5.34 indicates that C18H20ClN3S.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, C18H20ClN3S.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H20ClN3S.ClH has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C18H20ClN3S.ClH?
The CAS number of C18H20ClN3S.ClH is 101398-50-9.
What is the molecular formula of C18H20ClN3S.ClH?
The molecular formula of C18H20ClN3S.ClH is C18H21Cl2N3S.
What is the molecular weight of C18H20ClN3S.ClH?
The molecular weight of C18H20ClN3S.ClH is 381.08 g/mol.
Where can I buy C18H20ClN3S.ClH?
You can request a quote for C18H20ClN3S.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H20ClN3S.ClH?
Yes, KEHONG BIO provides custom synthesis services for C18H20ClN3S.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.