USAF AB-31
TL;DR: USAF AB-31 (CAS 63716-99-4) is a chemical compound with molecular formula C38H48Cl6N4OS2 and molecular weight 850.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-chloro-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)aniline);hydrate;dihydrochloride
Also Known As: C19H22Cl2N2S.ClH.1/2H2O, C19-H22-Cl2-N2-S.Cl-H.1/2H2-O, 1-Pyrrolidinepropanamine, N-(4-chloro-2-((4-chlorophenyl)thio)phenyl)-, monohydrochloride, hemihydrate, 2-(3-Pyrrolidinopropylamino)-4',5-dichloro-(1-diphenylsulfide) monohydrochloride hemihydrate, 4-chloro-2-[(4-chlorophenyl)sulfanyl]-n-[3-(pyrrolidin-1-yl)propyl]aniline hydrochloride hydrate(2:2:1)
| Molecular Formula | C38H48Cl6N4OS2 |
|---|---|
| Molecular Weight | 850.14 g/mol |
| LogP | 12.1 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 852.13715 |
| Heavy Atoms | 51 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 63716-99-4 |
|---|---|
| SMILES | C1CCN(C1)CCCNC2=C(C=C(C=C2)Cl)SC3=CC=C(C=C3)Cl.C1CCN(C1)CCCNC2=C(C=C(C=C2)Cl)SC3=CC=C(C=C3)Cl.O.Cl.Cl |
| InChIKey | BWYQRNCUKAFTOU-UHFFFAOYSA-N |
Product Overview
USAF AB-31 (CAS 63716-99-4), with molecular formula C38H48Cl6N4OS2 and molecular weight 850.14 g/mol. IUPAC: bis(4-chloro-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)aniline);hydrate;dihydrochloride.
Chemical Property Profile of USAF AB-31
Property Insights of USAF AB-31
The XLogP value of 12.1 indicates that USAF AB-31 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for USAF AB-31. Following Lipinski's Rule of Five, USAF AB-31 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 USAF AB-31?
The CAS number of USAF AB-31 is 63716-99-4.
What is the molecular formula of USAF AB-31?
The molecular formula of USAF AB-31 is C38H48Cl6N4OS2.
What is the molecular weight of USAF AB-31?
The molecular weight of USAF AB-31 is 850.14 g/mol.
Where can I buy USAF AB-31?
You can request a quote for USAF AB-31 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for USAF AB-31?
Yes, KEHONG BIO provides custom synthesis services for USAF AB-31 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.