C33H31N5O2S.2ClH
TL;DR: C33H31N5O2S.2ClH (CAS 66725-06-2) is a chemical compound with molecular formula C33H33Cl2N5O2S and molecular weight 633.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(acridin-9-ylamino)phenyl]-5-(quinolin-4-ylamino)pentane-1-sulfonamide;dihydrochloride
Also Known As: C33-H31-N5-O2-S.2Cl-H.1/2H2-O, N-[4- phenyl]-5- pentane-1-sulfonamidedihydrochloride, Pentanesulfonanilide, 4'-(9-acridinylamino)-5-(4-quinolinylamino)-, dihydrochloride, hemihydrate, N-[4-(acridin-9-ylamino)phenyl]-5-(quinolin-4-ylamino)pentane-1-sulfonamide dihydrochloride, N-{4-[(Acridin-9-yl)amino]phenyl}-5-[(quinolin-4-yl)amino]pentane-1-sulfonamide--hydrogen chloride (1/2)
| Molecular Formula | C33H33Cl2N5O2S |
|---|---|
| Molecular Weight | 633.17 g/mol |
| LogP | 8.5475 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 633.1732 |
| Heavy Atoms | 43 |
| Complexity | 882.0 |
Chemical Identifiers
| CAS Number | 66725-06-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=N2)NCCCCCS(=O)(=O)NC3=CC=C(C=C3)NC4=C5C=CC=CC5=NC6=CC=CC=C64.Cl.Cl |
| InChIKey | WKXNTJFMAKTUQP-UHFFFAOYSA-N |
Product Overview
C33H31N5O2S.2ClH (CAS 66725-06-2), with molecular formula C33H33Cl2N5O2S and molecular weight 633.17 g/mol. IUPAC: N-[4-(acridin-9-ylamino)phenyl]-5-(quinolin-4-ylamino)pentane-1-sulfonamide;dihydrochloride.
Chemical Property Profile of C33H31N5O2S.2ClH
Property Insights of C33H31N5O2S.2ClH
The XLogP value of 8.5475 indicates that C33H31N5O2S.2ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C33H31N5O2S.2ClH. Following Lipinski's Rule of Five, C33H31N5O2S.2ClH has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C33H31N5O2S.2ClH?
The CAS number of C33H31N5O2S.2ClH is 66725-06-2.
What is the molecular formula of C33H31N5O2S.2ClH?
The molecular formula of C33H31N5O2S.2ClH is C33H33Cl2N5O2S.
What is the molecular weight of C33H31N5O2S.2ClH?
The molecular weight of C33H31N5O2S.2ClH is 633.17 g/mol.
Where can I buy C33H31N5O2S.2ClH?
You can request a quote for C33H31N5O2S.2ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C33H31N5O2S.2ClH?
Yes, KEHONG BIO provides custom synthesis services for C33H31N5O2S.2ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.