Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)-
TL;DR: Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)- (CAS 13907-61-4) is a chemical compound with molecular formula C13H14Cl2N6O6 and molecular weight 420.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis[[2-chloroethyl(nitroso)carbamoyl]amino]benzoic acid
Also Known As: BENZOIC ACID, 3,5-BIS(3-(2-CHLOROETHYL)-3-NITROSOUREIDO)-, 3,5-bis[[2-chloroethyl(nitroso)carbamoyl]amino]benzoic acid, 3,5-Bis(3-(2-chloroethyl)-3-nitrosoureido)benzoic acid, 1,1'-(5-Carboxy-m-phenylene)bis(3-(2-chloroethyl)-3-nitrosourea), Urea, 1,1'-(5-carboxy-m-phenylene)bis(3-(2-chloroethyl)-3-nitroso-
| Molecular Formula | C13H14Cl2N6O6 |
|---|---|
| Molecular Weight | 420.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.0352 |
| Heavy Atoms | 27 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 13907-61-4 |
|---|---|
| SMILES | C1=C(C=C(C=C1NC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O)C(=O)O |
| InChIKey | RRTCCTJFLQKSPL-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)- (CAS 13907-61-4), with molecular formula C13H14Cl2N6O6 and molecular weight 420.04 g/mol. IUPAC: 3,5-bis[[2-chloroethyl(nitroso)carbamoyl]amino]benzoic acid.
Chemical Property Profile of Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)-
Property Insights of Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)-. The TPSA of 161.0 Ų indicates high polarity, suggesting Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)- has 3 hydrogen bond donor(s) and 8 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 Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)-?
The CAS number of Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)- is 13907-61-4.
What is the molecular formula of Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)-?
The molecular formula of Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)- is C13H14Cl2N6O6.
What is the molecular weight of Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)-?
The molecular weight of Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)- is 420.04 g/mol.
Where can I buy Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)-?
You can request a quote for Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.